2-chloro-4-(trifluoromethoxy)aniline hydrochloride

2-chloro-4-(trifluoromethoxy)aniline hydrochloride

CAS: 1187386-31-7

Formula: C7H6Cl2F3NO

SMILES: Cl.NC1=CC=C(OC(F)(F)F)C=C1Cl

IUPAC: 2-chloro-4-(trifluoromethoxy)aniline hydrochloride

InChI: InChI=1S/C7H5ClF3NO.ClH/c8-5-3-4(1-2-6(5)12)13-7(9,10)11;/h1-3H,12H2;1H

Composition: C (33.90%), H (2.44%), Cl (28.59%), F (22.98%), N (5.65%), O (6.45%)

Molar Mass: 248.03

Atom Count: 20

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	246.9778537
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	YEFJDCOIOFAQLK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	38.63
Topological Polar Surface Area	35.25
Polarizability	15.47
Ring Count	1
Rotatable Bond Count	2

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