4'-Amino-2'-chloroacetophenone

CAT: 0926-XCA53123Size: 25 gDry Ice: NoHazardous: No

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CAT#:0926-XCA53123Size:25 g

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CAS Number

72531-23-8

MDL Number

MFCD11848240

Smiles

CC (=O) C1=C (C=C (C=C1) N) Cl

Molecular Formula

C8H8ClNO

Molecular Weight

169.61 g/mol

Controlled

Chemical Information

1-(4-Amino-2-chlorophenyl)ethanone

CAS Number	72531-23-8
PubChem CID	12733837
IUPAC Name	1-(4-amino-2-chlorophenyl)ethanone
Molecular Formula	C8H8ClNO
Molecular Weight	169.61
XLogP	1.9
Topological Polar Surface Area	43.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	160

SMILES

CC(=O)C1=C(C=C(C=C1)N)Cl

InChI

InChI=1S/C8H8ClNO/c1-5(11)7-3-2-6(10)4-8(7)9/h2-4H,10H2,1H3

InChIKey

SFWDKRVMIBKYQK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 72531-23-8

CID: 12733837

Formula: C8H8ClNO

MW: 169.61

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	169.61
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	169.0294416
Monoisotopic Mass	169.0294416
Topological Polar Surface Area	43.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	160
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	1
Compound Is Canonicalized	Yes

Catalog	Name
FA55395-01	2-Amino-4'-chloroacetophenone hydrochloride
FC05532-01	4'-Chloroacetophenone
FT67474-01	2'- (2-Thienylidene) -4-chloroacetophenone
FC20180-01	2'-Chloroacetophenone
ECA82614	3-Bromo-4-chloroacetophenone
FB64513-01	5'-Bromo-2'-chloroacetophenone
LAC43838	2'-Bromo-6'-chloroacetophenone
FC54808-01	3'-Chloroacetophenone
MAC41455-01	2-Amino-4,4,4-trifluorobutyramide
YZB71957-01	(2-Amino-4-methylpentyl) (methyl) amine

Catalog	Name
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