2-bromo-4-fluoro-1-(trifluoromethoxy)benzene

2-bromo-4-fluoro-1-(trifluoromethoxy)benzene

CAS: 866633-25-2

Formula: C7H3BrF4O

SMILES: FC1=CC(Br)=C(OC(F)(F)F)C=C1

IUPAC: 2-bromo-4-fluoro-1-(trifluoromethoxy)benzene

InChI: InChI=1S/C7H3BrF4O/c8-5-3-4(9)1-2-6(5)13-7(10,11)12/h1-3H

Composition: C (32.46%), H (1.17%), Br (30.85%), F (29.34%), O (6.18%)

Molar Mass: 258.998

Atom Count: 16

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	257.93034
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	TUMXMNZWNKIGIE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	36.97
Topological Polar Surface Area	9.23
Polarizability	15.48
Ring Count	1
Rotatable Bond Count	2

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