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Home > Nitro Compounds > 89841-03-2
89841-03-2 | Benzenemethanesulfonic acid, 2-nitro-, phenyl ester
CAS No: 89841-03-2 Catalog No: AG003YRO MDL No:
Product Description
Catalog Number:
AG003YRO
Chemical Name:
Benzenemethanesulfonic acid, 2-nitro-, phenyl ester
CAS Number:
89841-03-2
Molecular Formula:
C13H11NO5S
Molecular Weight:
293.2951
IUPAC Name:
phenyl (2-nitrophenyl)methanesulfonate
InChI:
InChI=1S/C13H11NO5S/c15-14(16)13-9-5-4-6-11(13)10-20(17,18)19-12-7-2-1-3-8-12/h1-9H,10H2
InChI Key:
FDSWDUKQCCOIKN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1CS(=O)(=O)Oc1ccccc1
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.036g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.293g/mol
Monoisotopic Mass:
293.036g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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