Methyl 5-Chloropentanoate

CAT: 1299-RG-M200844-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-M200844-01Size:10 mg

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CAS Number

14273-86-0

Synonyms

Methyl 5-chloropentanoate

Molecular Formula

C6H11ClO2

Molecular Weight

150.6

Target Alternative Name

Apixaban

Product Name Synonym

Methyl 5-chloropentanoate

Chemical Information

Methyl 5-chloropentanoate

CAS Number	14273-86-0
PubChem CID	274413
IUPAC Name	methyl 5-chloropentanoate
Molecular Formula	C6H11ClO2
Molecular Weight	150.60
XLogP	1.7
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	9
Formal Charge	0
Complexity	83

SMILES

COC(=O)CCCCCl

InChI

InChI=1S/C6H11ClO2/c1-9-6(8)4-2-3-5-7/h2-5H2,1H3

InChIKey

JAVHFVJOWIQHII-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14273-86-0

CID: 274413

Formula: C6H11ClO2

MW: 150.60

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	150.60
XLogP3	1.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	150.0447573
Monoisotopic Mass	150.0447573
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	83.1
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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RG-M082544-01	Methyl 5-Chlorohexanoate
RG-A261290-01	Methyl 5-Methylnicotinate
RG-A262428-01	5-Methyl-D-Norleucine
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RG-A262886-01	Methyl 5,6-Diaminonicotinate
RG-M050857-01	2-Methyl-5-Nitronicotinohydrazide

Catalog	Name
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TRC-M302900-2.5G	Methyl 5,5-Dimethoxyvalerate
TRC-M781825-5G	5-Methyl-5-hexenal
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