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29452-72-0 | Benzenesulfonic acid, 2-amino-4-(benzoylamino)-
CAS No: 29452-72-0 Catalog No: AG002YF6 MDL No:
Product Description
Catalog Number:
AG002YF6
Chemical Name:
Benzenesulfonic acid, 2-amino-4-(benzoylamino)-
CAS Number:
29452-72-0
Molecular Formula:
C13H12N2O4S
Molecular Weight:
292.3104
IUPAC Name:
2-amino-4-benzamidobenzenesulfonic acid
InChI:
InChI=1S/C13H12N2O4S/c14-11-8-10(6-7-12(11)20(17,18)19)15-13(16)9-4-2-1-3-5-9/h1-8H,14H2,(H,15,16)(H,17,18,19)
InChI Key:
DUOCAITVQWIVJB-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)Nc1ccc(c(c1)N)S(=O)(=O)O
EC Number:
249-637-8
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.052g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
292.309g/mol
Monoisotopic Mass:
292.052g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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