22361-64-4
2-BROMO-5-[(DIETHYLAMINO)SULFONYL]BENZOIC ACID
Name2-BROMO-5-[(DIETHYLAMINO)SULFONYL]BENZOIC ACID
1Identification
【Name】
2-BROMO-5-[(DIETHYLAMINO)SULFONYL]BENZOIC ACID
【CAS】
【MDL】
MFCD00760904
【English Synonyms】
【Formula】
C11 H14 Br N O4 S
【MolWeight】
336.205
【Inchi】
InChI=1S/C11H14BrNO4S/c1-3-13(4-2)18(16,17)8-5-6-10(12)9(7-8)11(14)15/h5-7H,3-4H2,1-2H3,(H,14,15)
【InChIKey】
InChIKey=SUMISZHUFQXXJD-UHFFFAOYSA-N
【SMILES】
CCN(CC)S(=O)(=O)c1ccc(c(c1)C(=O)O)Br
【MOL File】
2-BROMO-5-[(DIETHYLA….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-BROMO-5-[(DIETHYLAMINO)SULFONYL]BENZOIC ACID.cml