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131020-44-5 | 1H-Benzimidazole-6-carbonyl chloride, 4,5,6,7-tetrahydro-
CAS No: 131020-44-5 Catalog No: AG000VCF MDL No:
Product Description
Catalog Number:
AG000VCF
Chemical Name:
1H-Benzimidazole-6-carbonyl chloride, 4,5,6,7-tetrahydro-
CAS Number:
131020-44-5
Molecular Formula:
C8H9ClN2O
Molecular Weight:
184.6229
IUPAC Name:
4,5,6,7-tetrahydro-3H-benzimidazole-5-carbonyl chloride
InChI:
InChI=1S/C8H9ClN2O/c9-8(12)5-1-2-6-7(3-5)11-4-10-6/h4-5H,1-3H2,(H,10,11)
InChI Key:
WNLAYQWXHRLHHK-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:
184.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.623g/mol
Monoisotopic Mass:
184.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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