methyl 2-bromo-3-[4-(trifluoromethoxy)phenyl]propanoate

methyl 2-bromo-3-[4-(trifluoromethoxy)phenyl]propanoate

CAS: 175203-81-3

Formula: C11H10BrF3O3

SMILES: COC(=O)C(Br)CC1=CC=C(OC(F)(F)F)C=C1

IUPAC: methyl 2-bromo-3-[4-(trifluoromethoxy)phenyl]propanoate

InChI: InChI=1/C11H10BrF3O3/c1-17-10(16)9(12)6-7-2-4-8(5-3-7)18-11(13,14)15/h2-5,9H,6H2,1H3

Composition: C (40.39%), H (3.08%), Br (24.43%), F (17.42%), O (14.67%)

Molar Mass: 327.097

Atom Count: 28

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	325.976542
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	DGQGOJSRNVNZMF-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.33
Topological Polar Surface Area	35.53
Polarizability	23.47
Ring Count	1
Rotatable Bond Count	6

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