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Home> Hot Product Listed 1   > 1-(3-bromothiophene-2-carbonyl)-6-methylpiperidine-3-carboxamide
13123-07-4 structure

1-(3-bromothiophene-2-carbonyl)-6-methylpiperidine-3-carboxamide

Iupac Name:1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CAS No.:13123-07-4
Molecular Weight:244.223
Molecular Formula:C9H6CLNO (isomer)
Names and Identifiers
Synonyms

AKOS010960811 MCULE-3904909574 MOLPORT-020-126-498 Z845439222

Inchi
InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1/i1+2
InChkey
IQFYYKKMVGJFEH-ROLIIFIXSA-N
Canonical Smiles
CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O
Isomers Smiles
[14CH3]C1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
Properties
Refractive Index
1.584
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:244.223g/mol
  • Molecular Formula:C9H6CLNO
  • Compound Is Canonicalized:True
  • XLogP3-AA:_1.2
  • Exact Mass:244.094
  • Monoisotopic Mass:244.094
  • Complexity:381
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:5
  • Heavy Atom Count:17
  • Defined Atom Stereocenter Count:3
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:1
  • Covalently-Bonded Unit Count:1
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Recommended Suppliers
NEN
  • Tel:617 350 9263
  • Fax:+1-510-687-1140
 
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