Methyl 2- (2-chloroethoxy) acetate

CAT: 1596-AR-M03464-01Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-M03464-01Size:25 Units

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CAS Number

83881-47-4

Synonyms

Methyl 2- (2-chloroethoxy) acetate

Molecular Formula

C5H9ClO3

Molecular Weight

152.6

API Name

Misc

Chemical Information

Methyl 2-(2-chloroethoxy)acetate

CAS Number	83881-47-4
PubChem CID	15337474
IUPAC Name	methyl 2-(2-chloroethoxy)acetate
Molecular Formula	C5H9ClO3
Molecular Weight	152.57
XLogP	0.6
Topological Polar Surface Area	35.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	9
Formal Charge	0
Complexity	84

SMILES

COC(=O)COCCCl

InChI

InChI=1S/C5H9ClO3/c1-8-5(7)4-9-3-2-6/h2-4H2,1H3

InChIKey

RDFIZBYHUOHTQI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 83881-47-4

CID: 15337474

Formula: C5H9ClO3

MW: 152.57

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	152.57
XLogP3	0.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	152.0240218
Monoisotopic Mass	152.0240218
Topological Polar Surface Area	35.5 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	84.3
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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