3-chloro-4-fluoro-5-(trifluoromethyl)aniline

3-chloro-4-fluoro-5-(trifluoromethyl)aniline

CAS: 914225-61-9

Formula: C7H4ClF4N

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

IUPAC: 3-chloro-4-fluoro-5-(trifluoromethyl)aniline

InChI: InChI=1S/C7H4ClF4N/c8-5-2-3(13)1-4(6(5)9)7(10,11)12/h1-2H,13H2

Composition: C (39.37%), H (1.89%), Cl (16.60%), F (35.58%), N (6.56%)

Molar Mass: 213.56

Atom Count: 17

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	212.9968395
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	KAHNTLCBWGVHDY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	41.75
Topological Polar Surface Area	26.02
Polarizability	14.62
Ring Count	1
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	914225-61-9		$31.53-$480.44$31.53$46.66$480.44