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Home> Hot Product Listed M   > Methoxychrysoidine
137234-62-9 structure

Methoxychrysoidine

Iupac Name:(2R,3S)-2-(2,4-difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CAS No.:137234-62-9
Molecular Weight:349.317
Molecular Formula:C23H32O3 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1
InChkey
BCEHBSKCWLPMDN-MGPLVRAMSA-N
Canonical Smiles
CC(C1=NC=NC=C1F)C(CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O
Properties
Density
1.461
Melting Point
127-130°C
Refractive Index
1.616
Alpha
D25 -62° (c = 1 in methanol)
Safety and Handling
Risk Statements
R22;R36/38
Safety Statements
S26;S36
HazardClass
6.1
PackingGroup
III
Transport
OTH
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:349.317g/mol
  • Molecular Formula:C23H32O3
  • Compound Is Canonicalized:True
  • Exact Mass:349.115
  • Monoisotopic Mass:349.115
  • Complexity:448
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:8
  • Topological Polar Surface Area:76.7A^2
  • Heavy Atom Count:25
  • Defined Atom Stereocenter Count:2
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccB7oYAAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAAAB8AAAHwAICAAADUzBngw/kJYIEgCi AzRnZACSgCsxgKAd2CA4TJiKLqLA2dGEdAhuwANY2CeQ0OIOgAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
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  • Fax:86-25-84270111
  • Tel:86-512-87666020
  • Fax:86-512-82177310
  • Tel:86-571-8696517
  • Fax:86-571-8696163
  • Tel:021-50271125
  • Fax:+86-21-50271125-612
  • Tel:+1-(973)-473-4300
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  • Tel:+86-(571)-87040515
  • Fax:+86-(571)-87214761
  • Tel:86-574-63858500
  • Fax:86-574-27711892
  • Tel:+49-(2594)-78 31 40 - 0
  • Fax:+49-(2594)-78 31 40 - 22
  • Tel:+91-(40)-23704923
  • Fax:+91-(40)-23704926
 
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