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114804-44-3 | 1H-Benzimidazole-5-carboxylic acid, 2-hydrazinyl-1-methyl-
CAS No: 114804-44-3 Catalog No: AG000F95 MDL No:
Product Description
Catalog Number:
AG000F95
Chemical Name:
1H-Benzimidazole-5-carboxylic acid, 2-hydrazinyl-1-methyl-
CAS Number:
114804-44-3
Molecular Formula:
C9H10N4O2
Molecular Weight:
206.2013
IUPAC Name:
2-hydrazinyl-1-methylbenzimidazole-5-carboxylic acid
InChI:
InChI=1S/C9H10N4O2/c1-13-7-3-2-5(8(14)15)4-6(7)11-9(13)12-10/h2-4H,10H2,1H3,(H,11,12)(H,14,15)
InChI Key:
KZUQWAJOOFSFLA-UHFFFAOYSA-N
SMILES:
NNc1nc2c(n1C)ccc(c2)C(=O)O
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.08g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
206.205g/mol
Monoisotopic Mass:
206.08g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
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