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89659-83-6 | 1H-Benzimidazole-1-carbonitrile, 6-chloro-2,3-dihydro-3-methyl-2-oxo-
CAS No: 89659-83-6 Catalog No: AG0043UN MDL No:
Product Description
Catalog Number:
AG0043UN
Chemical Name:
1H-Benzimidazole-1-carbonitrile, 6-chloro-2,3-dihydro-3-methyl-2-oxo-
CAS Number:
89659-83-6
Molecular Formula:
C9H6ClN3O
Molecular Weight:
207.6164
IUPAC Name:
6-chloro-3-methyl-2-oxobenzimidazole-1-carbonitrile
InChI:
InChI=1S/C9H6ClN3O/c1-12-7-3-2-6(10)4-8(7)13(5-11)9(12)14/h2-4H,1H3
InChI Key:
HLEQHMHHZPHWPG-UHFFFAOYSA-N
SMILES:
Cn1c2ccc(cc2n(c1=O)C#N)Cl
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.02g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.617g/mol
Monoisotopic Mass:
207.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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