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Home > Nitro Compounds > 30384-53-3
30384-53-3 | Benzenesulfonic acid, 2-nitro-, methyl ester
CAS No: 30384-53-3 Catalog No: AG002ZXU MDL No:
Product Description
Catalog Number:
AG002ZXU
Chemical Name:
Benzenesulfonic acid, 2-nitro-, methyl ester
CAS Number:
30384-53-3
Molecular Formula:
C7H7NO5S
Molecular Weight:
217.1992
IUPAC Name:
methyl 2-nitrobenzenesulfonate
InChI:
InChI=1S/C7H7NO5S/c1-13-14(11,12)7-5-3-2-4-6(7)8(9)10/h2-5H,1H3
InChI Key:
BRRWEJXLJPHMBE-UHFFFAOYSA-N
SMILES:
COS(=O)(=O)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.004g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.195g/mol
Monoisotopic Mass:
217.004g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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