Chloromethyl pentanoate

CAT: 1299-RG-E140180-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-E140180-01Size:10 mg

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CAS Number

77877-94-2

Synonyms

Chloromethyl pentanoate

Molecular Formula

C6H11ClO2

Molecular Weight

150.6

Product Name Synonym

Chloromethyl pentanoate

Chemical Information

Chloromethyl pentanoate

CAS Number	77877-94-2
PubChem CID	525232
IUPAC Name	chloromethyl pentanoate
Molecular Formula	C6H11ClO2
Molecular Weight	150.60
XLogP	2.2
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

CCCCC(=O)OCCl

InChI

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

InChIKey

ZYDSTVMBNBPPLQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 77877-94-2

CID: 525232

Formula: C6H11ClO2

MW: 150.60

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	150.60
XLogP3	2.2
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
RG-A263411-01	Propyl Pentanoate
RG-A261179-01	Ethyl 5- (Oxetan-2-Yl) Pentanoate
RG-E141480-01	(Chloromethyl) cyclopropane
RG-E140177-01	Chloromethyl isobutyrate
RG-C081539-01	Chloromethyl Pivalate
RG-A263552-01	Chloromethyl Propionate
RG-E140179-01	Chloromethyl 2-methylbutanoate
RG-E140178-01	Chloromethyl 3-methylbutanoate
RM-L191613-01	Lansoprazole Chloromethyl Impurity
RG-E140475-01	Chloromethyl hydrogen carbonate