2,4-Dichlorophenacylamine hydrochloride

CAT: 0127-OR2790Size: 1 EachDry Ice: NoHazardous: No

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CAS Number

65146-54-5

Synonyms

2-Amino-2',4'-dichloroacetophenone hydrochloride, 2-Amino-1- (2,4-dichlorophenyl) ethan-1-one hydrochloride

MDL Number

MFCD00219529

Purity

97%

Smiles

Cl.NCC(=O)c1ccc(Cl)cc1Cl

Chemical Information

2-Amino-1-(2,4-dichlorophenyl)ethanone hydrochloride

CAS Number	65146-54-5
PubChem CID	17901763
IUPAC Name	2-amino-1-(2,4-dichlorophenyl)ethanone;hydrochloride
Molecular Formula	C8H8Cl3NO
Molecular Weight	240.5
Topological Polar Surface Area	43.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	13
Formal Charge	0
Complexity	174

SMILES

C1=CC(=C(C=C1Cl)Cl)C(=O)CN.Cl

InChI

InChI=1S/C8H7Cl2NO.ClH/c9-5-1-2-6(7(10)3-5)8(12)4-11;/h1-3H,4,11H2;1H

InChIKey

RJCPEUKXHFGBSW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 65146-54-5

CID: 17901763

Formula: C8H8Cl3NO

MW: 240.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	240.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	238.967147
Monoisotopic Mass	238.967147
Topological Polar Surface Area	43.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	174
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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