53515-23-4
3-BROMO-4-OXO-4-P-TOLYL-BUTYRIC ACID
Name
3-BROMO-4-OXO-4-P-TOLYL-BUTYRIC ACID
Formula
C11 H11 Br O3
MolWeight
271.109
1Identification
【Name】
3-BROMO-4-OXO-4-P-TOLYL-BUTYRIC ACID
【CAS】
【MDL】
MFCD03964625
【English Synonyms】
【Formula】
C11 H11 Br O3
【MolWeight】
271.109
【Inchi】
InChI=1S/C11H11BrO3/c1-7-2-4-8(5-3-7)11(15)9(12)6-10(13)14/h2-5,9H,6H2,1H3,(H,13,14)
【InChIKey】
InChIKey=AFLMNHCSODTMON-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)C(=O)C(CC(=O)O)Br
【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
3-BROMO-4-OXO-4-P-TOLYL-BUTYRIC ACID.cml
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