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131032-81-0 | Benzenesulfonic acid, 2-[2-(4-aminophenyl)ethenyl]-5-nitro-
CAS No: 131032-81-0 Catalog No: AG000VDF MDL No:
Product Description
Catalog Number:
AG000VDF
Chemical Name:
Benzenesulfonic acid, 2-[2-(4-aminophenyl)ethenyl]-5-nitro-
CAS Number:
131032-81-0
Molecular Formula:
C14H12N2O5S
Molecular Weight:
320.3205
IUPAC Name:
2-[2-(4-aminophenyl)ethenyl]-5-nitrobenzenesulfonic acid
InChI:
InChI=1S/C14H12N2O5S/c15-12-6-2-10(3-7-12)1-4-11-5-8-13(16(17)18)9-14(11)22(19,20)21/h1-9H,15H2,(H,19,20,21)
InChI Key:
BUDABJBEODFRQB-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)C=Cc1ccc(cc1S(=O)(=O)O)[N+](=O)[O-]
Properties
Complexity:
514
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.047g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
320.319g/mol
Monoisotopic Mass:
320.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.1
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