1-Chlorohex-5-en-2-one

CAT: 0926-YCA19308-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-YCA19308-01Size:50 mg

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CAS Number

73193-08-5

MDL Number

MFCD19232541

Smiles

C=CCCC (=O) CCl

Molecular Formula

C6H9ClO

Molecular Weight

132.59 g/mol

Controlled

Chemical Information

1-Chlorohex-5-en-2-one

CAS Number	73193-08-5
PubChem CID	12579605
IUPAC Name	1-chlorohex-5-en-2-one
Molecular Formula	C6H9ClO
Molecular Weight	132.59
XLogP	1.6
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Heavy Atom Count	8
Formal Charge	0
Complexity	88

SMILES

C=CCCC(=O)CCl

InChI

InChI=1S/C6H9ClO/c1-2-3-4-6(8)5-7/h2H,1,3-5H2

InChIKey

OINKKDHHJHKMSW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 73193-08-5

CID: 12579605

Formula: C6H9ClO

MW: 132.59

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	132.59
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	4
Exact Mass	132.0341926
Monoisotopic Mass	132.0341926
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	88.5
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
KAA29398-01	1-Chlorohex-5-en-2-ol
EAA69417-01	5,5-Dimethylcyclohex-2-en-1-one
PCA02033-01	1-Phenylhex-5-en-2-one
QBA79069-01	5-Ethylcyclohex-2-en-1-one
VFA96722-01	1-Bromohex-5-en-2-one
SBA18555-01	1-Cyclopropylhex-5-en-1-one
XAA52425-01	1-Phenylhex-5-en-1-one
FC169662	3- (Cyclohexylamino) -5,5-dimethylcyclohex-2-en-1-one
MCA32209-01	1-Oxaspiro[5.5]undec-2-en-4-one
ECA39884-01	3-Amino-5-methylcyclohex-2-en-1-one

Catalog	Name
OR1031543-01	(R) -1-Chlorohex-5-en-2-ol
OR2957	5-Chlorohex-5-enenitrile
OR01814	Ethyl 5-chlorohex-5-enoate
OR85271-01	5,5-Dimethylcyclohex-2-en-1-one
436947-01	5-Methylcyclohex-2-en-1-one
928-89-2	6-Chlorohex-1-ene
OR1044202	5-Methylhex-5-en-2-one
AQ C6 0004-01	3,5-diphenylcyclohex-2-en-1-one
OR96543-01	Bicyclo[2.2.1]Hept-5-en-2-one
OR01903-01	3-Amino-5,5-dimethylcyclohex-2-en-1-one