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Home > Nitro Compounds > 141381-81-9
141381-81-9 | Benzenesulfonamide, 2-nitro-N-(2-phenylethyl)-
CAS No: 141381-81-9 Catalog No: AG00HVZW MDL No:MFCD01211983
Product Description
Catalog Number:
AG00HVZW
Chemical Name:
Benzenesulfonamide, 2-nitro-N-(2-phenylethyl)-
CAS Number:
141381-81-9
Molecular Formula:
C14H14N2O4S
Molecular Weight:
306.3370
MDL Number:
MFCD01211983
IUPAC Name:
2-nitro-N-(2-phenylethyl)benzenesulfonamide
InChI:
InChI=1S/C14H14N2O4S/c17-16(18)13-8-4-5-9-14(13)21(19,20)15-11-10-12-6-2-1-3-7-12/h1-9,15H,10-11H2
InChI Key:
TYLQUNDUNLQKGK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1S(=O)(=O)NCCc1ccccc1
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.067g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
306.336g/mol
Monoisotopic Mass:
306.067g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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