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Home > Nitro Compounds > 912772-83-9
912772-83-9 | 3-(benzylsulfonyl)-5-nitroaniline
CAS No: 912772-83-9 Catalog No: AG00J770 MDL No:MFCD12027074
Product Description
Catalog Number:
AG00J770
Chemical Name:
3-(benzylsulfonyl)-5-nitroaniline
CAS Number:
912772-83-9
Molecular Formula:
C13H12N2O4S
Molecular Weight:
292.3104
MDL Number:
MFCD12027074
IUPAC Name:
3-benzylsulfonyl-5-nitroaniline
InChI:
InChI=1S/C13H12N2O4S/c14-11-6-12(15(16)17)8-13(7-11)20(18,19)9-10-4-2-1-3-5-10/h1-8H,9,14H2
InChI Key:
DJLLPNLKTNURMT-UHFFFAOYSA-N
SMILES:
Nc1cc(cc(c1)S(=O)(=O)Cc1ccccc1)[N+](=O)[O-]
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.052g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.309g/mol
Monoisotopic Mass:
292.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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