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Home > Nitro Compounds > 89303-26-4
89303-26-4 | Benzene, 1-nitro-2-phenoxy-4-[(phenylsulfonyl)methyl]-
CAS No: 89303-26-4 Catalog No: AG003YN1 MDL No:
Product Description
Catalog Number:
AG003YN1
Chemical Name:
Benzene, 1-nitro-2-phenoxy-4-[(phenylsulfonyl)methyl]-
CAS Number:
89303-26-4
Molecular Formula:
C19H15NO5S
Molecular Weight:
369.3911
IUPAC Name:
4-(benzenesulfonylmethyl)-1-nitro-2-phenoxybenzene
InChI:
InChI=1S/C19H15NO5S/c21-20(22)18-12-11-15(13-19(18)25-16-7-3-1-4-8-16)14-26(23,24)17-9-5-2-6-10-17/h1-13H,14H2
InChI Key:
CQMGDWNOQOJMLP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1Oc1ccccc1)CS(=O)(=O)c1ccccc1
Properties
Complexity:
556
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.067g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
369.391g/mol
Monoisotopic Mass:
369.067g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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