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19731-02-3 | 1H-Benzimidazole-2-acetic acid, hydrazide
CAS No: 19731-02-3 Catalog No: AG002ARB MDL No:MFCD02677231
Product Description
Catalog Number:
AG002ARB
Chemical Name:
1H-Benzimidazole-2-acetic acid, hydrazide
CAS Number:
19731-02-3
Molecular Formula:
C9H10N4O
Molecular Weight:
190.2019
MDL Number:
MFCD02677231
IUPAC Name:
2-(1H-benzimidazol-2-yl)acetohydrazide
InChI:
InChI=1S/C9H10N4O/c10-13-9(14)5-8-11-6-3-1-2-4-7(6)12-8/h1-4H,5,10H2,(H,11,12)(H,13,14)
InChI Key:
AAQMWDANTBEUPJ-UHFFFAOYSA-N
SMILES:
NNC(=O)Cc1nc2c([nH]1)cccc2
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.085g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
190.206g/mol
Monoisotopic Mass:
190.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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