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

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

CAS: 261951-96-6

Formula: C8H6BrF3O

SMILES: CC1=CC(OC(F)(F)F)=CC=C1Br

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

InChI: InChI=1S/C8H6BrF3O/c1-5-4-6(2-3-7(5)9)13-8(10,11)12/h2-4H,1H3

Composition: C (37.68%), H (2.37%), Br (31.33%), F (22.35%), O (6.27%)

Molar Mass: 255.034

Atom Count: 19

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	253.955412
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	ZKABPUGKDKWJIP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.79
Topological Polar Surface Area	9.23
Polarizability	17.16
Ring Count	1
Rotatable Bond Count	2

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