59889-29-1
3-BROMO-5-(1,1-DIMETHYLETHYL)-6-HYDROXY-2-METHYL-BENZOIC ACID
Name3-BROMO-5-(1,1-DIMETHYLETHYL)-6-HYDROXY-2-METHYL-BENZOIC ACID
1Identification
【Name】
3-BROMO-5-(1,1-DIMETHYLETHYL)-6-HYDROXY-2-METHYL-BENZOIC ACID
【CAS】
【MDL】
MFCD11977382
【English Synonyms】
【Formula】
C12 H15 Br O3
【MolWeight】
287.151
【Inchi】
InChI=1S/C12H15BrO3/c1-6-8(13)5-7(12(2,3)4)10(14)9(6)11(15)16/h5,14H,1-4H3,(H,15,16)
【InChIKey】
InChIKey=ZCEGRDRWYWAQRP-UHFFFAOYSA-N
【SMILES】
Cc1c(cc(c(c1C(=O)O)O)C(C)(C)C)Br
【MOL File】
3-BROMO-5-(1,1-DIMET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:3
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-BROMO-5-(1,1-DIMETHYLETHYL)-6-HYDROXY-2-METHYL-BENZOIC ACID.cml