735274-90-5
TRANS-2-[2-(3-FLUOROPHENYL)-2-OXOETHYL]CYCLOHEXANE-1-CARBOXYLIC ACID
NameTRANS-2-[2-(3-FLUOROPHENYL)-2-OXOETHYL]CYCLOHEXANE-1-CARBOXYLIC ACID
1Identification
【Name】
TRANS-2-[2-(3-FLUOROPHENYL)-2-OXOETHYL]CYCLOHEXANE-1-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD01311381
【English Synonyms】
【Formula】
C15 H17 F O3
【MolWeight】
264.294
【Inchi】
InChI=1S/C15H17FO3/c16-12-6-3-5-11(8-12)14(17)9-10-4-1-2-7-13(10)15(18)19/h3,5-6,8,10,13H,1-2,4,7,9H2,(H,18,19)/t10-,13+/m0/s1
【InChIKey】
InChIKey=HKQMYZIHQYRFEN-GXFFZTMASA-N
【SMILES】
c1cc(cc(c1)F)C(=O)C[C@@H]2CCCC[C@H]2C(=O)O
【MOL File】
TRANS-2-[2-(3-FLUORO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
TRANS-2-[2-(3-FLUOROPHENYL)-2-OXOETHYL]CYCLOHEXANE-1-CARBOXYLIC ACID.cml