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Home > Nitro Compounds > 25238-15-7
25238-15-7 | Benzenesulfonic acid,3-nitro-, 4-(1-methylethyl)phenyl ester
CAS No: 25238-15-7 Catalog No: AG007NVT MDL No:
Product Description
Catalog Number:
AG007NVT
Chemical Name:
Benzenesulfonic acid,3-nitro-, 4-(1-methylethyl)phenyl ester
CAS Number:
25238-15-7
Molecular Formula:
C15H15NO5S
Molecular Weight:
321.3483
IUPAC Name:
(4-propan-2-ylphenyl) 3-nitrobenzenesulfonate
InChI:
InChI=1S/C15H15NO5S/c1-11(2)12-6-8-14(9-7-12)21-22(19,20)15-5-3-4-13(10-15)16(17)18/h3-11H,1-2H3
InChI Key:
VFJZEFREJOAXDO-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)OS(=O)(=O)c1cccc(c1)[N+](=O)[O-])C
NSC Number:
146151
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.067g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
321.347g/mol
Monoisotopic Mass:
321.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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