59256-24-5
3-(4-BROMO-BENZENESULFONYLAMINO)-BENZOIC ACID
Name
3-(4-BROMO-BENZENESULFONYLAMINO)-BENZOIC ACID
Formula
C13 H10 Br N O4 S
MolWeight
356.195
1Identification
【Name】
3-(4-BROMO-BENZENESULFONYLAMINO)-BENZOIC ACID
【CAS】
【MDL】
MFCD00593145
【English Synonyms】
【Formula】
C13 H10 Br N O4 S
【MolWeight】
356.195
【Inchi】
InChI=1S/C13H10BrNO4S/c14-10-4-6-12(7-5-10)20(18,19)15-11-3-1-2-9(8-11)13(16)17/h1-8,15H,(H,16,17)
【InChIKey】
InChIKey=BUTBMLDLLOBSFI-UHFFFAOYSA-N
【SMILES】
c1cc(cc(c1)NS(=O)(=O)c2ccc(cc2)Br)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-(4-BROMO-BENZENESULFONYLAMINO)-BENZOIC ACID.cml
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