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2-amino-1-(2,4-difluorophenyl)ethanone hydrochloride

2-amino-1-(2,4-difluorophenyl)ethanone hydrochloride

CAS: 786719-60-6

Formula: C8H8ClF2NO

SMILES: Cl[H].NCC(=O)C1=CC=C(F)C=C1F

IUPAC: 2-amino-1-(2,4-difluorophenyl)ethan-1-one hydrochloride

InChI: InChI=1S/C8H7F2NO.ClH/c9-5-1-2-6(7(10)3-5)8(12)4-11;/h1-3H,4,11H2;1H

Composition: C (46.28%), H (3.88%), Cl (17.08%), F (18.30%), N (6.75%), O (7.71%)

Molar Mass: 207.6

Atom Count: 21

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 207.0262479
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey IVNYKZOEFAMYSL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 40.25
Topological Polar Surface Area 43.09
Polarizability 15.03
Ring Count 1
Rotatable Bond Count 2

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