Phenoxyacetyl Chloride

CAT: 0127-OR1014631-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR1014631-01Size:25 g

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CAS Number

701-99-5

MDL Number

MFCD00000726

Purity

98%

Smiles

ClC(=O)COc1ccccc1

Chemical Information

Phenoxyacetyl chloride

CAS Number	701-99-5
PubChem CID	69703
IUPAC Name	2-phenoxyacetyl chloride
Molecular Formula	C8H7ClO2
Molecular Weight	170.59
XLogP	2.3
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	11
Formal Charge	0
Complexity	130

SMILES

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

InChI

InChI=1S/C8H7ClO2/c9-8(10)6-11-7-4-2-1-3-5-7/h1-5H,6H2

InChIKey

PKUPAJQAJXVUEK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 701-99-5

CID: 69703

Formula: C8H7ClO2

MW: 170.59

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	170.59
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	170.0134572
Monoisotopic Mass	170.0134572
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	130
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
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BUP19587	Cesium chloride
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BUP18362	Acetylcholine chloride
OR1003393-01	Cyclopentylacetyl chloride
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OR1024592-01	Iodoacetyl Chloride
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BIB6299-01	Ethylmethylcarbamic chloride

Catalog	Name
sc-253259	Phenoxyacetyl chloride
90028131	Phenoxyacetyl chloride, 98%
P07370-01	Phenoxyacetyl chloride 98%
sc-356870A	4- (Trifluoromethoxy) phenoxyacetyl chloride
GTR19268384-01	Phenoxyacetyl-CoA
P318250	N2-Phenoxyacetyl Guanine
sc-351916	1- (Phenoxyacetyl) piperazine
JH916856	N- (2-Phenoxyacetyl) guanosine
sc-222022A	N2-Phenoxyacetyl-2'-deoxyguanosine
HY-W606687	N- (2-Phenoxyacetyl) adenosine