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160882-30-4 | 1H-Benzimidazole-6-carbonyl chloride
CAS No: 160882-30-4 Catalog No: AG001VFI MDL No:
Product Description
Catalog Number:
AG001VFI
Chemical Name:
1H-Benzimidazole-6-carbonyl chloride
CAS Number:
160882-30-4
Molecular Formula:
C8H5ClN2O
Molecular Weight:
180.5911
IUPAC Name:
3H-benzimidazole-5-carbonyl chloride
InChI:
InChI=1S/C8H5ClN2O/c9-8(12)5-1-2-6-7(3-5)11-4-10-6/h1-4H,(H,10,11)
InChI Key:
KEPSJISIUDGGSI-UHFFFAOYSA-N
SMILES:
ClC(=O)c1ccc2c(c1)[nH]cn2
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.009g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.591g/mol
Monoisotopic Mass:
180.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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