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175530-52-6 | 1H-Benzimidazole-2-methanamine, 6-methoxy-
CAS No: 175530-52-6 Catalog No: AG00211C MDL No:MFCD09038245
Product Description
Catalog Number:
AG00211C
Chemical Name:
1H-Benzimidazole-2-methanamine, 6-methoxy-
CAS Number:
175530-52-6
Molecular Formula:
C9H11N3O
Molecular Weight:
177.2031
MDL Number:
MFCD09038245
IUPAC Name:
(6-methoxy-1H-benzimidazol-2-yl)methanamine
InChI:
InChI=1S/C9H11N3O/c1-13-6-2-3-7-8(4-6)12-9(5-10)11-7/h2-4H,5,10H2,1H3,(H,11,12)
InChI Key:
FVXQBRISRBHAAL-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)[nH]c(n2)CN
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
177.207g/mol
Monoisotopic Mass:
177.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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