3-bromo-2-(trifluoromethyl)phenol

3-bromo-2-(trifluoromethyl)phenol

CAS: 1214352-26-7

Formula: C7H4BrF3O

SMILES: OC1=CC=CC(Br)=C1C(F)(F)F

IUPAC: 3-bromo-2-(trifluoromethyl)phenol

InChI: InChI=1S/C7H4BrF3O/c8-4-2-1-3-5(12)6(4)7(9,10)11/h1-3,12H

Composition: C (34.89%), H (1.67%), Br (33.15%), F (23.65%), O (6.64%)

Molar Mass: 241.007

Atom Count: 16

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	239.939762
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	WKNXFUUIDHXHMQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.64
Topological Polar Surface Area	20.23
Polarizability	15.4
Ring Count	1
Rotatable Bond Count	1

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