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90564-71-9 | 1-METHYL-5-BENZO[D]IMIDAZOLECARBOXAMIDE
CAS No: 90564-71-9 Catalog No: AG006CFZ MDL No:
Product Description
Catalog Number:
AG006CFZ
Chemical Name:
1-METHYL-5-BENZO[D]IMIDAZOLECARBOXAMIDE
CAS Number:
90564-71-9
Molecular Formula:
C9H9N3O
Molecular Weight:
175.1873
IUPAC Name:
1-methylbenzimidazole-5-carboxamide
InChI:
InChI=1S/C9H9N3O/c1-12-5-11-7-4-6(9(10)13)2-3-8(7)12/h2-5H,1H3,(H2,10,13)
InChI Key:
GCDGCOQSXIVIMI-UHFFFAOYSA-N
SMILES:
NC(=O)c1ccc2c(c1)ncn2C
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.075g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
175.191g/mol
Monoisotopic Mass:
175.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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