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2-bromo-5-(trifluoromethyl)aniline

2-bromo-5-(trifluoromethyl)aniline

CAS: 454-79-5

Formula: C7H5BrF3N

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

IUPAC: 2-bromo-5-(trifluoromethyl)aniline

InChI: InChI=1S/C7H5BrF3N/c8-5-2-1-4(3-6(5)12)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 PZDVFXUBTKPFSG-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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