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192513-56-7 | Benzoic acid, 5-[[(4-methylphenyl)methylene]amino]-2-(phenylsulfonyl)-
CAS No: 192513-56-7 Catalog No: AG002G1B MDL No:
Product Description
Catalog Number:
AG002G1B
Chemical Name:
Benzoic acid, 5-[[(4-methylphenyl)methylene]amino]-2-(phenylsulfonyl)-
CAS Number:
192513-56-7
Molecular Formula:
C21H17NO4S
Molecular Weight:
379.4290
IUPAC Name:
2-(benzenesulfonyl)-5-[(4-methylphenyl)methylideneamino]benzoic acid
InChI:
InChI=1S/C21H17NO4S/c1-15-7-9-16(10-8-15)14-22-17-11-12-20(19(13-17)21(23)24)27(25,26)18-5-3-2-4-6-18/h2-14H,1H3,(H,23,24)
InChI Key:
DEPIQSDWRACKNV-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)C=Nc1ccc(c(c1)C(=O)O)S(=O)(=O)c1ccccc1
Properties
Complexity:
625
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
379.088g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
379.43g/mol
Monoisotopic Mass:
379.088g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
92.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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