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182952-97-2 | 1H-Benzimidazole-5-carbonyl chloride, 2,3-dihydro-2-oxo-
CAS No: 182952-97-2 Catalog No: AG0024AS MDL No:
Product Description
Catalog Number:
AG0024AS
Chemical Name:
1H-Benzimidazole-5-carbonyl chloride, 2,3-dihydro-2-oxo-
CAS Number:
182952-97-2
Molecular Formula:
C8H5ClN2O2
Molecular Weight:
196.5905
IUPAC Name:
2-oxo-1,3-dihydrobenzimidazole-5-carbonyl chloride
InChI:
InChI=1S/C8H5ClN2O2/c9-7(12)4-1-2-5-6(3-4)11-8(13)10-5/h1-3H,(H2,10,11,13)
InChI Key:
AZGAMPNDQBITHP-UHFFFAOYSA-N
SMILES:
ClC(=O)c1ccc2c(c1)[nH]c(=O)[nH]2
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.004g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
196.59g/mol
Monoisotopic Mass:
196.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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