4-Chloropentan-1-ol

CAT: 0127-OR1048816-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1048816-01Size:50 mg

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CAS Number

35096-45-8

MDL Number

MFCD20621640

Purity

95%

Smiles

CC(Cl)CCCO

Chemical Information

4-Chloropentan-1-ol

CAS Number	35096-45-8
PubChem CID	12809147
IUPAC Name	4-chloropentan-1-ol
Molecular Formula	C5H11ClO
Molecular Weight	122.59
XLogP	1.3
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	7
Formal Charge	0
Complexity	39

SMILES

CC(CCCO)Cl

InChI

InChI=1S/C5H11ClO/c1-5(6)3-2-4-7/h5,7H,2-4H2,1H3

InChIKey

PHOLXMKOIBAQOE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 35096-45-8

CID: 12809147

Formula: C5H11ClO

MW: 122.59

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	122.59
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	122.0498427
Monoisotopic Mass	122.0498427
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	39.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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