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102616-91-1 | 2H-Benzimidazol-2-one, 1-amino-1,3-dihydro-
CAS No: 102616-91-1 Catalog No: AG0007XO MDL No:
Product Description
Catalog Number:
AG0007XO
Chemical Name:
2H-Benzimidazol-2-one, 1-amino-1,3-dihydro-
CAS Number:
102616-91-1
Molecular Formula:
C7H7N3O
Molecular Weight:
149.1500
IUPAC Name:
3-amino-1H-benzimidazol-2-one
InChI:
InChI=1S/C7H7N3O/c8-10-6-4-2-1-3-5(6)9-7(10)11/h1-4H,8H2,(H,9,11)
InChI Key:
KOFUWGOMTZTSTO-UHFFFAOYSA-N
SMILES:
Nn1c(=O)[nH]c2c1cccc2
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.059g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
149.153g/mol
Monoisotopic Mass:
149.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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