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885458-82-2 | 3-(1-METHYL-1H-IMIDAZOLE-2-CARBONYL)-5-NITRO-BENZOIC ACID HYDRAZIDE
CAS No: 885458-82-2 Catalog No: AG019HKI MDL No:MFCD06660657
Product Description
Catalog Number:
AG019HKI
Chemical Name:
3-(1-METHYL-1H-IMIDAZOLE-2-CARBONYL)-5-NITRO-BENZOIC ACID HYDRAZIDE
CAS Number:
885458-82-2
Molecular Formula:
C12H11N5O4
Molecular Weight:
289.2468
MDL Number:
MFCD06660657
IUPAC Name:
3-(1-methylimidazole-2-carbonyl)-5-nitrobenzohydrazide
InChI:
InChI=1S/C12H11N5O4/c1-16-3-2-14-11(16)10(18)7-4-8(12(19)15-13)6-9(5-7)17(20)21/h2-6H,13H2,1H3,(H,15,19)
InChI Key:
MHDFSMMARAHDII-UHFFFAOYSA-N
SMILES:
NNC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)c1nccn1C
Properties
Complexity:
438
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.081g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
289.251g/mol
Monoisotopic Mass:
289.081g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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