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119-72-2 | Benzenesulfonic acid, 5-amino-2-[2-(4-nitro-2-sulfophenyl)ethenyl]-
CAS No: 119-72-2 Catalog No: AG000OZT MDL No:MFCD00035915
Product Description
Catalog Number:
AG000OZT
Chemical Name:
Benzenesulfonic acid, 5-amino-2-[2-(4-nitro-2-sulfophenyl)ethenyl]-
CAS Number:
119-72-2
Molecular Formula:
C14H12N2O8S2
Molecular Weight:
400.3837
MDL Number:
MFCD00035915
IUPAC Name:
5-amino-2-[(E)-2-(4-nitro-2-sulfophenyl)ethenyl]benzenesulfonic acid
InChI:
InChI=1S/C14H12N2O8S2/c15-11-5-3-9(13(7-11)25(19,20)21)1-2-10-4-6-12(16(17)18)8-14(10)26(22,23)24/h1-8H,15H2,(H,19,20,21)(H,22,23,24)/b2-1+
InChI Key:
GHBWBMDGBCKAQU-OWOJBTEDSA-N
SMILES:
Nc1ccc(c(c1)S(=O)(=O)O)C=Cc1ccc(cc1S(=O)(=O)O)[N+](=O)[O-]
EC Number:
204-346-5
Properties
Complexity:
747
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
400.004g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
400.376g/mol
Monoisotopic Mass:
400.004g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
197A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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