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141311-45-7 | Benzenesulfonic acid, 2-amino-5-(4-methylbenzoyl)-
CAS No: 141311-45-7 Catalog No: AG001G71 MDL No:
Product Description
Catalog Number:
AG001G71
Chemical Name:
Benzenesulfonic acid, 2-amino-5-(4-methylbenzoyl)-
CAS Number:
141311-45-7
Molecular Formula:
C14H13NO4S
Molecular Weight:
291.3223
IUPAC Name:
2-amino-5-(4-methylbenzoyl)benzenesulfonic acid
InChI:
InChI=1S/C14H13NO4S/c1-9-2-4-10(5-3-9)14(16)11-6-7-12(15)13(8-11)20(17,18)19/h2-8H,15H2,1H3,(H,17,18,19)
InChI Key:
GTHRRMHHXQNIAV-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C(=O)c1ccc(c(c1)S(=O)(=O)O)N
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.057g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
291.321g/mol
Monoisotopic Mass:
291.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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