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Home> Hot Product Listed 4   > 4-CHLORO-2-(2-HYDROXYPHENYL)-6-METHYLPYRIMIDINE
115609-61-5 structure

4-CHLORO-2-(2-HYDROXYPHENYL)-6-METHYLPYRIMIDINE

Iupac Name:2-[4-[(2S)-3-(tert-butylamino)-2-hydroxypropoxy]phenyl]ethyl acetate
CAS No.:115609-61-5
Molecular Weight:309.406
Molecular Formula: (isomer)
Names and Identifiers
Synonyms

2-(4-CHLORO-6-METHYLPYRIMIDIN-2-YL)PHENOL CHEMBRDG-BB 5215557

Inchi
InChI=1S/C17H27NO4/c1-13(19)21-10-9-14-5-7-16(8-6-14)22-12-15(20)11-18-17(2,3)4/h5-8,15,18,20H,9-12H2,1-4H3/t15-/m0/s1
InChkey
YSAYHFMJDLPBGB-HNNXBMFYSA-N
Canonical Smiles
CC(=O)OCCC1=CC=C(C=C1)OCC(CNC(C)(C)C)O
Isomers Smiles
CC(=O)OCCC1=CC=C(C=C1)OC[C@H](CNC(C)(C)C)O
Properties
Density
1.372
Vapour
1.96E-08mmHg at 25°C
Refractive Index
1.51
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:309.406g/mol
  • Molecular Formula:
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.1
  • Exact Mass:309.194
  • Monoisotopic Mass:309.194
  • Complexity:319
  • Rotatable Bond Count:10
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:5
  • Heavy Atom Count:22
  • Defined Atom Stereocenter Count:1
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
Recommended Suppliers
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Recommended Suppliers
  • Tel:+1-510-219-6317
  • Fax:+1-510-675-0318
 
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