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177843-29-7 | 1H-Benzimidazol-6-amine, 7-chloro-
CAS No: 177843-29-7 Catalog No: AG0025KR MDL No:
Product Description
Catalog Number:
AG0025KR
Chemical Name:
1H-Benzimidazol-6-amine, 7-chloro-
CAS Number:
177843-29-7
Molecular Formula:
C7H6ClN3
Molecular Weight:
167.5956
IUPAC Name:
4-chloro-1H-benzimidazol-5-amine
InChI:
InChI=1S/C7H6ClN3/c8-6-4(9)1-2-5-7(6)11-3-10-5/h1-3H,9H2,(H,10,11)
InChI Key:
SXAIYGAZOZOJFD-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1Cl)[nH]cn2
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.025g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
167.596g/mol
Monoisotopic Mass:
167.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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