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20367-42-4 | Carbamic acid, N-(6-methyl-1H-benzimidazol-2-yl)-, methyl ester
CAS No: 20367-42-4 Catalog No: AG002936 MDL No:
Product Description
Catalog Number:
AG002936
Chemical Name:
Carbamic acid, N-(6-methyl-1H-benzimidazol-2-yl)-, methyl ester
CAS Number:
20367-42-4
Molecular Formula:
C10H11N3O2
Molecular Weight:
205.2132
IUPAC Name:
methyl N-(6-methyl-1H-benzimidazol-2-yl)carbamate
InChI:
InChI=1S/C10H11N3O2/c1-6-3-4-7-8(5-6)12-9(11-7)13-10(14)15-2/h3-5H,1-2H3,(H2,11,12,13,14)
InChI Key:
BCHKNFQUOAQOET-UHFFFAOYSA-N
SMILES:
COC(=O)Nc1nc2c([nH]1)cc(cc2)C
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.085g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
205.217g/mol
Monoisotopic Mass:
205.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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