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126145-99-1 | Benzoic acid, 4-[[(4-bromophenyl)sulfonyl]amino]-
CAS No: 126145-99-1 Catalog No: AG000RRL MDL No:MFCD00590493
Product Description
Catalog Number:
AG000RRL
Chemical Name:
Benzoic acid, 4-[[(4-bromophenyl)sulfonyl]amino]-
CAS Number:
126145-99-1
Molecular Formula:
C13H10BrNO4S
Molecular Weight:
356.1918
MDL Number:
MFCD00590493
IUPAC Name:
4-[(4-bromophenyl)sulfonylamino]benzoic acid
InChI:
InChI=1S/C13H10BrNO4S/c14-10-3-7-12(8-4-10)20(18,19)15-11-5-1-9(2-6-11)13(16)17/h1-8,15H,(H,16,17)
InChI Key:
LKXOWYHVOFFRHD-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)C(=O)O
Properties
Complexity:
432
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.951g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
356.19g/mol
Monoisotopic Mass:
354.951g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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