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Home > Nitro Compounds > 94199-54-9
94199-54-9 | 4-[(4-CHLORO-2-NITROPHENYL)AZO]-4,5-DIHYDRO-5-OXO-1-PHENYL-1H-PYRAZOLE-3-CARBOXAMIDE
CAS No: 94199-54-9 Catalog No: AG005SWO MDL No:
Product Description
Catalog Number:
AG005SWO
Chemical Name:
4-[(4-CHLORO-2-NITROPHENYL)AZO]-4,5-DIHYDRO-5-OXO-1-PHENYL-1H-PYRAZOLE-3-CARBOXAMIDE
CAS Number:
94199-54-9
Molecular Formula:
C16H11ClN6O4
Molecular Weight:
386.7493
IUPAC Name:
4-[(4-chloro-2-nitrophenyl)diazenyl]-5-oxo-1-phenyl-4H-pyrazole-3-carboxamide
InChI:
InChI=1S/C16H11ClN6O4/c17-9-6-7-11(12(8-9)23(26)27)19-20-14-13(15(18)24)21-22(16(14)25)10-4-2-1-3-5-10/h1-8,14H,(H2,18,24)
InChI Key:
NIGCSZDGWBXICR-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)[N+](=O)[O-])N=NC1C(=NN(C1=O)c1ccccc1)C(=O)N
EC Number:
303-427-3
Properties
Complexity:
672
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.053g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
386.752g/mol
Monoisotopic Mass:
386.053g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
146A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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