883995-21-9
5-BROMO-2-(PROPAN-2-YL)BENZOIC ACID
Name
5-BROMO-2-(PROPAN-2-YL)BENZOIC ACID
Formula
C10 H11 Br O2
MolWeight
243.099
1Identification
【Name】
5-BROMO-2-(PROPAN-2-YL)BENZOIC ACID
【CAS】
【MDL】
MFCD16619422
【English Synonyms】
【Formula】
C10 H11 Br O2
【MolWeight】
243.099
【Inchi】
InChI=1S/C10H11BrO2/c1-6(2)8-4-3-7(11)5-9(8)10(12)13/h3-6H,1-2H3,(H,12,13)
【InChIKey】
InChIKey=CDMTUEGTFPKFJH-UHFFFAOYSA-N
【SMILES】
CC(C)c1ccc(cc1C(=O)O)Br
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-BROMO-2-(PROPAN-2-YL)BENZOIC ACID.cml
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