2-bromo-3,5-bis(trifluoromethyl)aniline

2-bromo-3,5-bis(trifluoromethyl)aniline

CAS: 174824-16-9

Formula: C8H4BrF6N

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

IUPAC: 2-bromo-3,5-bis(trifluoromethyl)aniline

InChI: InChI=1S/C8H4BrF6N/c9-6-4(8(13,14)15)1-3(2-5(6)16)7(10,11)12/h1-2H,16H2

Composition: C (31.20%), H (1.31%), Br (25.94%), F (37.01%), N (4.55%)

Molar Mass: 308.021

Atom Count: 20

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	306.943131
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	JFWWJFXUVIYKTC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.33
Topological Polar Surface Area	26.02
Polarizability	17.65
Ring Count	1
Rotatable Bond Count	2

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