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Home > Pyridines > 1016837-40-3
1016837-40-3 | 4-[(3-carbamoylpyridin-2-yl)sulfanyl]benzoic acid
CAS No: 1016837-40-3 Catalog No: AG019VJP MDL No:MFCD09939375
Product Description
Catalog Number:
AG019VJP
Chemical Name:
4-[(3-carbamoylpyridin-2-yl)sulfanyl]benzoic acid
CAS Number:
1016837-40-3
Molecular Formula:
C13H10N2O3S
Molecular Weight:
274.2951
MDL Number:
MFCD09939375
IUPAC Name:
4-(3-carbamoylpyridin-2-yl)sulfanylbenzoic acid
InChI:
InChI=1S/C13H10N2O3S/c14-11(16)10-2-1-7-15-12(10)19-9-5-3-8(4-6-9)13(17)18/h1-7H,(H2,14,16)(H,17,18)
InChI Key:
YCDZAGKSVJPOFZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)Sc1ncccc1C(=O)N
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.041g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
274.294g/mol
Monoisotopic Mass:
274.041g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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