5-Chloro-2-pentanone

CAT: 0926-FC00924Size: 500 gDry Ice: NoHazardous: No

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CAT#:0926-FC00924Size:500 g

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CAS Number

5891-21-4

MDL Number

MFCD00001008

Smiles

CC (=O) CCCCl

Molecular Formula

C5H9ClO

Molecular Weight

120.58 g/mol

Controlled

Chemical Information

2-Pentanone, 5-chloro-

CAS Number	5891-21-4
PubChem CID	79993
IUPAC Name	5-chloropentan-2-one
Molecular Formula	C5H9ClO
Molecular Weight	120.58
XLogP	0.8
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	7
Formal Charge	0
Complexity	61

SMILES

CC(=O)CCCCl

InChI

InChI=1S/C5H9ClO/c1-5(7)3-2-4-6/h2-4H2,1H3

InChIKey

XVRIEWDDMODMGA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5891-21-4

CID: 79993

Formula: C5H9ClO

MW: 120.58

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	120.58
XLogP3	0.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	120.0341926
Monoisotopic Mass	120.0341926
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	61.1
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
FA16981-01	5-Acetoxy-3-chloro-2-pentanone
FC85168-01	5-Chloro-1- (2-Fluorophenyl) -1-Pentanone
FP139318	2-Pentanone
FA184341-01	1- (2-Amino-5-chlorophenyl) -1-pentanone
GAA68392	1-Phenyl-2-pentanone
AAA81552	2-Bromo-3-pentanone
FT83611-01	1,1,1-Trifluoro-5-hydroxy-2-pentanone
FP75176-01	Perfluoro- (2-methyl-3-pentanone)
TTA07502-01	2-Chloro-5- (trifluoromethoxy) benzaldehyde@2-chloro-5- (trifluoromethoxy) benzaldehyde
QDA19632	2-Chloro-5-ethylpyridine

Catalog	Name
TRC-C375090-10G	5-Chloro-2-pentanone
258765-01	5-Acetoxy-3-chloro-2-pentanone
AR-P30760-01	3-Chloro-5-Hydroxy-2-Pentanone
409391-01	1-Bromo-5-chloro-2-pentanone
TRC-C383920-100MG	3-Chloro-5-Hydroxy-2-pentanone (~90%)
267319-01	5-Chloro-2-pentanone discontinued. See 161858
sc-480901	5-Acetoxy-3-chloro-2-pentanone-13C3
abx188533	5-Diethylamino-2-Pentanone
RG-E141382-01	5- (Trimethylsilyl) -2-pentanone
P04220-01	2-Pentanone 98.5%