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14730-30-4 | 3H-Pyrazol-3-one, 4-[2-(4-chloro-2-nitrophenyl)diazenyl]-2,4-dihydro-5-methyl-
CAS No: 14730-30-4 Catalog No: AG001ESG MDL No:
Product Description
Catalog Number:
AG001ESG
Chemical Name:
3H-Pyrazol-3-one, 4-[2-(4-chloro-2-nitrophenyl)diazenyl]-2,4-dihydro-5-methyl-
CAS Number:
14730-30-4
Molecular Formula:
C10H8ClN5O3
Molecular Weight:
281.6552
IUPAC Name:
4-[(4-chloro-2-nitrophenyl)diazenyl]-3-methyl-1,4-dihydropyrazol-5-one
InChI:
InChI=1S/C10H8ClN5O3/c1-5-9(10(17)15-12-5)14-13-7-3-2-6(11)4-8(7)16(18)19/h2-4,9H,1H3,(H,15,17)
InChI Key:
GXJHLTQHSDRTBV-UHFFFAOYSA-N
SMILES:
O=C1NN=C(C1N=Nc1ccc(cc1[N+](=O)[O-])Cl)C
EC Number:
238-788-5
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.032g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.656g/mol
Monoisotopic Mass:
281.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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