5-chloro-2-(2,2-difluoroethoxy)aniline hydrochloride

5-chloro-2-(2,2-difluoroethoxy)aniline hydrochloride

CAS: 1431967-79-1

Formula: C8H9Cl2F2NO

SMILES: Cl.NC1=CC(Cl)=CC=C1OCC(F)F

IUPAC: 5-chloro-2-(2,2-difluoroethoxy)aniline hydrochloride

InChI: InChI=1S/C8H8ClF2NO.ClH/c9-5-1-2-7(6(12)3-5)13-4-8(10)11;/h1-3,8H,4,12H2;1H

Composition: C (39.37%), H (3.72%), Cl (29.05%), F (15.57%), N (5.74%), O (6.56%)

Molar Mass: 244.06

Atom Count: 23

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	243.0029256
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	NHYYVLSIRIJRSU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.59
Topological Polar Surface Area	35.25
Polarizability	17.32
Ring Count	1
Rotatable Bond Count	3

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