93350-01-7
5-BROMO-4,6-DIMETHYL-NICOTINIC ACID
Name
5-BROMO-4,6-DIMETHYL-NICOTINIC ACID
Formula
C8 H8 Br N O2
MolWeight
230.06
1Identification
【Name】
5-BROMO-4,6-DIMETHYL-NICOTINIC ACID
【CAS】
【MDL】
MFCD07366090
【English Synonyms】
【Formula】
C8 H8 Br N O2
【MolWeight】
230.06
【Inchi】
InChI=1S/C8H8BrNO2/c1-4-6(8(11)12)3-10-5(2)7(4)9/h3H,1-2H3,(H,11,12)
【InChIKey】
InChIKey=QQGXFWWAZULHIZ-UHFFFAOYSA-N
【SMILES】
Cc1c(cnc(c1Br)C)C(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-BROMO-4,6-DIMETHYL-NICOTINIC ACID.cml
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