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Home > Nitro Compounds > 89565-54-8
89565-54-8 | Benzamide, N-[4-[(3,5-dimethyl-1H-pyrazol-1-yl)sulfonyl]phenyl]-3-nitro-
CAS No: 89565-54-8 Catalog No: AG003Y3W MDL No:
Product Description
Catalog Number:
AG003Y3W
Chemical Name:
Benzamide, N-[4-[(3,5-dimethyl-1H-pyrazol-1-yl)sulfonyl]phenyl]-3-nitro-
CAS Number:
89565-54-8
Molecular Formula:
C18H16N4O5S
Molecular Weight:
400.4084
IUPAC Name:
N-[4-(3,5-dimethylpyrazol-1-yl)sulfonylphenyl]-3-nitrobenzamide
InChI:
InChI=1S/C18H16N4O5S/c1-12-10-13(2)21(20-12)28(26,27)17-8-6-15(7-9-17)19-18(23)14-4-3-5-16(11-14)22(24)25/h3-11H,1-2H3,(H,19,23)
InChI Key:
GAXZWLAMAFOTAO-UHFFFAOYSA-N
SMILES:
Cc1cc(n(n1)S(=O)(=O)c1ccc(cc1)NC(=O)c1cccc(c1)[N+](=O)[O-])C
Properties
Complexity:
681
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
400.084g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
400.409g/mol
Monoisotopic Mass:
400.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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