3-bromo-4-(trifluoromethyl)aniline

3-bromo-4-(trifluoromethyl)aniline

CAS: 172215-91-7

Formula: C7H5BrF3N

SMILES: NC1=CC=C(C(Br)=C1)C(F)(F)F

IUPAC: 3-bromo-4-(trifluoromethyl)aniline

InChI: InChI=1S/C7H5BrF3N/c8-6-3-4(12)1-2-5(6)7(9,10)11/h1-3H,12H2

Composition: C (35.03%), H (2.10%), Br (33.29%), F (23.75%), N (5.84%)

Molar Mass: 240.023

Atom Count: 17

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	238.955747
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	VMERAUXEEDONDK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.35
Topological Polar Surface Area	26.02
Polarizability	15.84
Ring Count	1
Rotatable Bond Count	1

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