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140638-29-5 | Benzenesulfonic acid, aminonitro-
CAS No: 140638-29-5 Catalog No: AG001CLH MDL No:
Product Description
Catalog Number:
AG001CLH
Chemical Name:
Benzenesulfonic acid, aminonitro-
CAS Number:
140638-29-5
Molecular Formula:
C6H6N2O5S
Molecular Weight:
218.1872
IUPAC Name:
3-amino-2-nitrobenzenesulfonic acid
InChI:
InChI=1S/C6H6N2O5S/c7-4-2-1-3-5(14(11,12)13)6(4)8(9)10/h1-3H,7H2,(H,11,12,13)
InChI Key:
UVSUQUOUHQHYGW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(N)cccc1S(=O)(=O)O
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.183g/mol
Monoisotopic Mass:
218g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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