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Home > Nitro Compounds > 477710-12-6
477710-12-6 | (E)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(2-nitrophenyl)-2-oxoethanecarbohydrazonoyl cyanide
CAS No: 477710-12-6 Catalog No: AG00IOHY MDL No:MFCD02102361
Product Description
Catalog Number:
AG00IOHY
Chemical Name:
(E)-2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(2-nitrophenyl)-2-oxoethanecarbohydrazonoyl cyanide
CAS Number:
477710-12-6
Molecular Formula:
C14H12N6O3
Molecular Weight:
312.2835
MDL Number:
MFCD02102361
IUPAC Name:
2-(3,5-dimethylpyrazol-1-yl)-N-(2-nitroanilino)-2-oxoethanimidoyl cyanide
InChI:
InChI=1S/C14H12N6O3/c1-9-7-10(2)19(18-9)14(21)12(8-15)17-16-11-5-3-4-6-13(11)20(22)23/h3-7,16H,1-2H3
InChI Key:
BKMRBYHXWXDJNA-UHFFFAOYSA-N
SMILES:
N#C/C(=N\Nc1ccccc1[N+](=O)[O-])/C(=O)n1nc(cc1C)C
Properties
Complexity:
549
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.097g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.289g/mol
Monoisotopic Mass:
312.097g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.5
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