4-ethoxy-3-(trifluoromethyl)aniline hydrochloride

4-ethoxy-3-(trifluoromethyl)aniline hydrochloride

CAS: 1609396-37-3

Formula: C9H11ClF3NO

SMILES: Cl.CCOC1=C(C=C(N)C=C1)C(F)(F)F

IUPAC: 4-ethoxy-3-(trifluoromethyl)aniline hydrochloride

InChI: InChI=1S/C9H10F3NO.ClH/c1-2-14-8-4-3-6(13)5-7(8)9(10,11)12;/h3-5H,2,13H2,1H3;1H

Composition: C (44.74%), H (4.59%), Cl (14.67%), F (23.59%), N (5.80%), O (6.62%)

Molar Mass: 241.64

Atom Count: 26

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	241.0481262
Formal Charge	0
FSP3	0.33
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	KRESFGRMCNFJPV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.94
Topological Polar Surface Area	35.25
Polarizability	17.02
Ring Count	1
Rotatable Bond Count	3

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