3-chloropiperidin-2-one

CAT: 1266-JH916542Size: 1 EachDry Ice: NoHazardous: No

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CAT#:1266-JH916542Size:1 Each

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CAS Number

16834-22-3

HS Code

2933990099

Molecular Formula

C5H8ClNO

Molecular Weight

133.58

Chemical Information

3-Chloropiperidin-2-one

CAS Number	16834-22-3
PubChem CID	22996993
IUPAC Name	3-chloropiperidin-2-one
Molecular Formula	C5H8ClNO
Molecular Weight	133.57
XLogP	0.7
Topological Polar Surface Area	29.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	105

SMILES

C1CC(C(=O)NC1)Cl

InChI

InChI=1S/C5H8ClNO/c6-4-2-1-3-7-5(4)8/h4H,1-3H2,(H,7,8)

InChIKey

PAZWVXFBGNCTJQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 16834-22-3

CID: 22996993

Formula: C5H8ClNO

MW: 133.57

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	133.57
XLogP3	0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	133.0294416
Monoisotopic Mass	133.0294416
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	105
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

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Catalog	Name
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OR75289-01	3,3-Dimethylpyrrolidin-2-one
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