Methyl 4-chloroacetoacetate

CAT: 0024-sc-253027CSize: 1 KgDry Ice: NoHazardous: No

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CAT#:0024-sc-253027CSize:1 Kg

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CAS Number

32807-28-6

Chemical Information

Methyl 4-chloroacetoacetate

CAS Number	32807-28-6
PubChem CID	36240
IUPAC Name	methyl 4-chloro-3-oxobutanoate
Molecular Formula	C5H7ClO3
Molecular Weight	150.56
XLogP	0.6
Topological Polar Surface Area	43.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	9
Formal Charge	0
Complexity	121

SMILES

COC(=O)CC(=O)CCl

InChI

InChI=1S/C5H7ClO3/c1-9-5(8)2-4(7)3-6/h2-3H2,1H3

InChIKey

HFLMYYLFSNEOOT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 32807-28-6

CID: 36240

Formula: C5H7ClO3

MW: 150.56

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	150.56
XLogP3	0.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	150.0083718
Monoisotopic Mass	150.0083718
Topological Polar Surface Area	43.4 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	121
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
sc-235674	Methyl 2-chloroacetoacetate
sc-211465B	Ethyl 4-Chloroacetoacetate
sc-211465D	Ethyl 4-Chloroacetoacetate
sc-211465A	Ethyl 4-Chloroacetoacetate
sc-211465	Ethyl 4-Chloroacetoacetate
sc-211465C	Ethyl 4-Chloroacetoacetate
sc-218389	Ethyl 4-Chloroacetoacetate-13C4
sc-239888	Ethyl 2-chloroacetoacetate
sc-228548	Methyl 4-methyl-4-nitropentanoate
sc-269503	Methyl 4-[ (4-formylphenoxy) methyl]benzoate

Catalog	Name
TRC-M294555-1G	Methyl 4-Chloroacetoacetate
454910-01	Methyl 2-Chloroacetoacetate
OR940897-01	Methyl 4-methyl-4-nitropentanoate
OR1013824-01	Methyl 4- ((4-Formylphenoxy) Methyl) Benzoate
GRA47062-01	Methyl 4-[ (4-bromophenoxy) methyl]benzoate
XPD10566-01	4-Methyl-4-[ (methylsulfanyl) methyl]piperidine
PC1021811-01	Methyl 4- ((4-fluorophenoxy) methyl) benzoate
ZMA54487-01	Methyl 4-[ (4-nitrophenoxy) methyl]benzoate
OR1092028	Methyl 4-methyl-α-oxobenzeneacetate
016395	4-[ (4-Methoxyphenyl) methyl]-4-methyl-2-phenyl-