5-Chloropentanoic Acid

CAT: 1299-RG-C081242-01Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:1299-RG-C081242-01Size:10 mg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

1119-46-6

Synonyms

5-chloropentanoic acid

Molecular Formula

C5H9ClO2

Molecular Weight

136.58

Target Alternative Name

Apixaban

Product Name Synonym

5-chloropentanoic acid

Chemical Information

5-Chlorovaleric acid

5-chloropentanoic acid is an organochlorine compound comprising pentanoic acid with a 5-chloro substituent.

CAS Number	1119-46-6
PubChem CID	14244
IUPAC Name	5-chloropentanoic acid
Molecular Formula	C5H9ClO2
Molecular Weight	136.58
XLogP	1.2
Topological Polar Surface Area	37.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	8
Formal Charge	0
Complexity	72

SMILES

C(CCCl)CC(=O)O

InChI

InChI=1S/C5H9ClO2/c6-4-2-1-3-5(7)8/h1-4H2,(H,7,8)

InChIKey

YSXDKDWNIPOSMF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1119-46-6

CID: 14244

Formula: C5H9ClO2

MW: 136.58

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	136.58
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	136.0291072
Monoisotopic Mass	136.0291072
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	72.8
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
PC4455-01	5,5,5-Trifluoropentanoic acid
437116-01	5,5,5-Trifluorovaleric Acid
ZAA49980-01	5,5-Dimethylhexanoic acid
CCA14621-01	5,5-Dimethylheptanoic acid
FT62679-01	5,5'-Thiodisalicylic Acid
904001	5,5‐DIBROMOBARBITURIC ACID
OR1011761-01	5,5-Thiodisalicylic Acid
FD32829-01	5,5-Dibromobarbituric acid
OR1047164-01	5,5'-Oxydiisophthalic acid
OR1049742-01	5,5'-Sulfonyldiisophthalic acid