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Home > Nitro Compounds > 7596-78-3
7596-78-3 | N-(BENZENESULFONYL)-3-NITRO-BENZOHYDRAZIDE
CAS No: 7596-78-3 Catalog No: AG00595Y MDL No:
Product Description
Catalog Number:
AG00595Y
Chemical Name:
N-(BENZENESULFONYL)-3-NITRO-BENZOHYDRAZIDE
CAS Number:
7596-78-3
Molecular Formula:
C13H11N3O5S
Molecular Weight:
321.3085
IUPAC Name:
N-(benzenesulfonyl)-3-nitrobenzohydrazide
InChI:
InChI=1S/C13H11N3O5S/c14-15(22(20,21)12-7-2-1-3-8-12)13(17)10-5-4-6-11(9-10)16(18)19/h1-9H,14H2
InChI Key:
KFTYHPJBTXEWNX-UHFFFAOYSA-N
SMILES:
O=C(N(S(=O)(=O)c1ccccc1)N)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
519
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.042g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.307g/mol
Monoisotopic Mass:
321.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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