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Home > Nitro Compounds > 89331-91-9
89331-91-9 | 1H-Indazole-1-carboxamide, N-(4-chlorophenyl)-5-nitro-
CAS No: 89331-91-9 Catalog No: AG003ZFC MDL No:
Product Description
Catalog Number:
AG003ZFC
Chemical Name:
1H-Indazole-1-carboxamide, N-(4-chlorophenyl)-5-nitro-
CAS Number:
89331-91-9
Molecular Formula:
C14H9ClN4O3
Molecular Weight:
316.6993
IUPAC Name:
N-(4-chlorophenyl)-5-nitroindazole-1-carboxamide
InChI:
InChI=1S/C14H9ClN4O3/c15-10-1-3-11(4-2-10)17-14(20)18-13-6-5-12(19(21)22)7-9(13)8-16-18/h1-8H,(H,17,20)
InChI Key:
CZMILRFMMBGUSL-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)NC(=O)n1ncc2c1ccc(c2)[N+](=O)[O-]
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.036g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
316.701g/mol
Monoisotopic Mass:
316.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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