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88369-28-2 | Benzamide, 2-chloro-N-(1,2-dihydro-2-thioxo-3-pyridinyl)-
CAS No: 88369-28-2 Catalog No: AG004MCV MDL No:
Product Description
Catalog Number:
AG004MCV
Chemical Name:
Benzamide, 2-chloro-N-(1,2-dihydro-2-thioxo-3-pyridinyl)-
CAS Number:
88369-28-2
Molecular Formula:
C12H9ClN2OS
Molecular Weight:
264.7307
IUPAC Name:
2-chloro-N-(2-sulfanylidene-1H-pyridin-3-yl)benzamide
InChI:
InChI=1S/C12H9ClN2OS/c13-9-5-2-1-4-8(9)11(16)15-10-6-3-7-14-12(10)17/h1-7H,(H,14,17)(H,15,16)
InChI Key:
HVEWFASAHWUEDC-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1Cl)Nc1ccc[nH]c1=S
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.012g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
264.727g/mol
Monoisotopic Mass:
264.012g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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