791594-13-3
(1R,2R)-2-(4-BROMOBENZOYL)CYCLOPENTANECARBOXYLIC ACID
Name(1R,2R)-2-(4-BROMOBENZOYL)CYCLOPENTANECARBOXYLIC ACID
1Identification
【Name】
(1R,2R)-2-(4-BROMOBENZOYL)CYCLOPENTANECARBOXYLIC ACID
【CAS】
【MDL】
MFCD11977771
【English Synonyms】
【Formula】
C13 H13 Br O3
【MolWeight】
297.147
【Inchi】
InChI=1S/C13H13BrO3/c14-9-6-4-8(5-7-9)12(15)10-2-1-3-11(10)13(16)17/h4-7,10-11H,1-3H2,(H,16,17)/t10-,11-/m1/s1
【InChIKey】
InChIKey=BVTWSRUFFHBCHO-GHMZBOCLSA-N
【SMILES】
c1cc(ccc1C(=O)[C@@H]2CCC[C@H]2C(=O)O)Br
【MOL File】
(1R,2R)-2-(4-BROMOBE….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
(1R,2R)-2-(4-BROMOBENZOYL)CYCLOPENTANECARBOXYLIC ACID.cml