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Home > Nitro Compounds > 189264-21-9
189264-21-9 | Benzenesulfonic acid, 2-nitro-, 2-propen-1-yl ester
CAS No: 189264-21-9 Catalog No: AG002I5V MDL No:
Product Description
Catalog Number:
AG002I5V
Chemical Name:
Benzenesulfonic acid, 2-nitro-, 2-propen-1-yl ester
CAS Number:
189264-21-9
Molecular Formula:
C9H9NO5S
Molecular Weight:
243.2365
IUPAC Name:
prop-2-enyl 2-nitrobenzenesulfonate
InChI:
InChI=1S/C9H9NO5S/c1-2-7-15-16(13,14)9-6-4-3-5-8(9)10(11)12/h2-6H,1,7H2
InChI Key:
KWHMBZNAHIPXIC-UHFFFAOYSA-N
SMILES:
C=CCOS(=O)(=O)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.02g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.233g/mol
Monoisotopic Mass:
243.02g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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