2'-Chloroacetanilide

CAT: 0127-OR7655Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR7655Size:5 g

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CAS Number

533-17-5

Synonyms

N- (2-Chlorophenyl) acetamide

MDL Number

MFCD00045169

Purity

98%

Smiles

CC(=O)Nc1ccccc1Cl

Chemical Information

o-Chloroacetanilide

O-Chloroacetanilide is an anilide.

CAS Number	533-17-5
PubChem CID	10777
IUPAC Name	N-(2-chlorophenyl)acetamide
Molecular Formula	C8H8ClNO
Molecular Weight	169.61
XLogP	1.3
Topological Polar Surface Area	29.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	149

SMILES

CC(=O)NC1=CC=CC=C1Cl

InChI

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

InChIKey

KNVQTRVKSOEHPU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 533-17-5

CID: 10777

Formula: C8H8ClNO

MW: 169.61

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	169.61
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	169.0294416
Monoisotopic Mass	169.0294416
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	149
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
OR4346-01	3'-Chloroacetanilide
OR4345-01	4'-Chloroacetanilide
OR937346-01	N-Chloroacetanilide
OR1010884-01	3-Amino-4-Chloroacetanilide
PC1003049-01	2,2,2-Trifluoroethyl 2,2,2-trichloroacetate
OR1009873-01	2,2,2,2-Ethylenedinitrilotetraethanol
PC32719-01	2,2,2,2'-Tetrafluoroacetophenone
PC450293-01	2,2-Difluoroethyl 2,2,2-trifluoroethyl carbonate
PC500824	2- (2,2,2-Trifluoroethoxy) phenylacetylene
PC4975-01	2,2,2-Trifluoroethyl-2-fluoroacrylate