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Home > Nitro Compounds > 1033774-90-1
1033774-90-1 | N-(benzyloxy)-4-nitrobenzene-1-sulfonamide
CAS No: 1033774-90-1 Catalog No: AG01BDRM MDL No:MFCD27991999
Product Description
Catalog Number:
AG01BDRM
Chemical Name:
N-(benzyloxy)-4-nitrobenzene-1-sulfonamide
CAS Number:
1033774-90-1
Molecular Formula:
C13H12N2O5S
Molecular Weight:
308.3098
MDL Number:
MFCD27991999
IUPAC Name:
4-nitro-N-phenylmethoxybenzenesulfonamide
InChI:
InChI=1S/C13H12N2O5S/c16-15(17)12-6-8-13(9-7-12)21(18,19)14-20-10-11-4-2-1-3-5-11/h1-9,14H,10H2
InChI Key:
MRSGLMLXOQISES-UHFFFAOYSA-N
SMILES:
O=S(=O)(c1ccc(cc1)[N+](=O)[O-])NOCc1ccccc1
Properties
Complexity:
429
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.047g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.308g/mol
Monoisotopic Mass:
308.047g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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