3-bromo-4-(trifluoromethoxy)benzoic acid

3-bromo-4-(trifluoromethoxy)benzoic acid

CAS: 85373-96-2

Formula: C8H4BrF3O3

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

IUPAC: 3-bromo-4-(trifluoromethoxy)benzoic acid

InChI: InChI=1S/C8H4BrF3O3/c9-5-3-4(7(13)14)1-2-6(5)15-8(10,11)12/h1-3H,(H,13,14)

Composition: C (33.71%), H (1.41%), Br (28.03%), F (20.00%), O (16.84%)

Molar Mass: 285.016

Atom Count: 19

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	283.929591
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	FZZJKGGHTKIIIJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.01
Topological Polar Surface Area	46.53
Polarizability	18.07
Ring Count	1
Rotatable Bond Count	3

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