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116091-38-4 | Benzoic acid, 4-[(4-aminophenyl)sulfonyl]-, propyl ester
CAS No: 116091-38-4 Catalog No: AG000BMF MDL No:
Product Description
Catalog Number:
AG000BMF
Chemical Name:
Benzoic acid, 4-[(4-aminophenyl)sulfonyl]-, propyl ester
CAS Number:
116091-38-4
Molecular Formula:
C16H17NO4S
Molecular Weight:
319.3755
IUPAC Name:
propyl 4-(4-aminophenyl)sulfonylbenzoate
InChI:
InChI=1S/C16H17NO4S/c1-2-11-21-16(18)12-3-7-14(8-4-12)22(19,20)15-9-5-13(17)6-10-15/h3-10H,2,11,17H2,1H3
InChI Key:
NADLZYOVECHEJJ-UHFFFAOYSA-N
SMILES:
CCCOC(=O)c1ccc(cc1)S(=O)(=O)c1ccc(cc1)N
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.088g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.375g/mol
Monoisotopic Mass:
319.088g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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