2-bromo-4-fluoro-3-(trifluoromethyl)aniline

2-bromo-4-fluoro-3-(trifluoromethyl)aniline

CAS: 1805249-14-2

Formula: C7H4BrF4N

SMILES: NC1=CC=C(F)C(=C1Br)C(F)(F)F

IUPAC: 2-bromo-4-fluoro-3-(trifluoromethyl)aniline

InChI: InChI=1S/C7H4BrF4N/c8-6-4(13)2-1-3(9)5(6)7(10,11)12/h1-2H,13H2

Composition: C (32.59%), H (1.56%), Br (30.97%), F (29.45%), N (5.43%)

Molar Mass: 258.014

Atom Count: 17

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	256.946325
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	JTPACHMIKOCFFN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.57
Topological Polar Surface Area	26.02
Polarizability	15.82
Ring Count	1
Rotatable Bond Count	1

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