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141212-53-5 | Benzoic acid, 4-[(4-bromophenyl)sulfonyl]-, ethyl ester
CAS No: 141212-53-5 Catalog No: AG001G2V MDL No:
Product Description
Catalog Number:
AG001G2V
Chemical Name:
Benzoic acid, 4-[(4-bromophenyl)sulfonyl]-, ethyl ester
CAS Number:
141212-53-5
Molecular Formula:
C15H13BrO4S
Molecular Weight:
369.2303
IUPAC Name:
ethyl 4-(4-bromophenyl)sulfonylbenzoate
InChI:
InChI=1S/C15H13BrO4S/c1-2-20-15(17)11-3-7-13(8-4-11)21(18,19)14-9-5-12(16)6-10-14/h3-10H,2H2,1H3
InChI Key:
MRVVGARDZRUYHA-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)S(=O)(=O)c1ccc(cc1)Br
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
367.972g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
369.229g/mol
Monoisotopic Mass:
367.972g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
68.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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