Baclofen Impurity 12

CAT: 1596-AR-B05890-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-B05890-02Size:25 Units

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

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CAS Number

28311-22-0

Molecular Formula

C10H10ClNO

Molecular Weight

195.65

API Name

Baclofen

Chemical Information

4-(2-Chlorophenyl)pyrrolidin-2-one

CAS Number	28311-22-0
PubChem CID	4343435
IUPAC Name	4-(2-chlorophenyl)pyrrolidin-2-one
Molecular Formula	C10H10ClNO
Molecular Weight	195.64
XLogP	1.6
Topological Polar Surface Area	29.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	207

SMILES

C1C(CNC1=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C10H10ClNO/c11-9-4-2-1-3-8(9)7-5-10(13)12-6-7/h1-4,7H,5-6H2,(H,12,13)

InChIKey

BVCDQJGBLFWXEW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 28311-22-0

CID: 4343435

Formula: C10H10ClNO

MW: 195.64

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	195.64
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	195.0450916
Monoisotopic Mass	195.0450916
Topological Polar Surface Area	29.1 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	207
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