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Home > Nitro Compounds > 886493-59-0
886493-59-0 | N-(2-Hydroxymethyl-4-nitro-phenyl)-4-methyl-benzenesulfonamide
CAS No: 886493-59-0 Catalog No: AG01F6C1 MDL No:
Product Description
Catalog Number:
AG01F6C1
Chemical Name:
N-(2-Hydroxymethyl-4-nitro-phenyl)-4-methyl-benzenesulfonamide
CAS Number:
886493-59-0
Molecular Formula:
C14H14N2O5S
Molecular Weight:
322.3364
IUPAC Name:
N-[2-(hydroxymethyl)-4-nitrophenyl]-4-methylbenzenesulfonamide
InChI:
InChI=1S/C14H14N2O5S/c1-10-2-5-13(6-3-10)22(20,21)15-14-7-4-12(16(18)19)8-11(14)9-17/h2-8,15,17H,9H2,1H3
InChI Key:
XHLZGGMLQCQUEQ-UHFFFAOYSA-N
SMILES:
OCc1cc(ccc1NS(=O)(=O)c1ccc(cc1)C)[N+](=O)[O-]
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.062g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
322.335g/mol
Monoisotopic Mass:
322.062g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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