1-Chloroethyl cyclohexanecarboxylate

CAT: 0926-ICA30447-02Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-ICA30447-02Size:0.5 g

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CAS Number

58304-47-5

MDL Number

MFCD20623466

Smiles

CC (OC (=O) C1CCCCC1) Cl

Molecular Formula

C9H15ClO2

Molecular Weight

190.67 g/mol

Controlled

Chemical Information

1-Chloroethyl cyclohexanecarboxylate

CAS Number	58304-47-5
PubChem CID	13592820
IUPAC Name	1-chloroethyl cyclohexanecarboxylate
Molecular Formula	C9H15ClO2
Molecular Weight	190.67
XLogP	3.3
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	153

SMILES

CC(OC(=O)C1CCCCC1)Cl

InChI

InChI=1S/C9H15ClO2/c1-7(10)12-9(11)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3

InChIKey

HDROJQNEUPUFCP-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 58304-47-5

CID: 13592820

Formula: C9H15ClO2

MW: 190.67

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	190.67
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	190.0760574
Monoisotopic Mass	190.0760574
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	153
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
DAA28928	Ethyl Cyclohexanecarboxylate
FC37050-01	1-Chloroethyl chloroformate
PBC38651-01	2- (1-Chloroethyl) pyrazine
XDA51611-01	3- (1-chloroethyl) pyridine
ICA11409-01	1- (1-Chloroethyl) -3-fluorobenzene
UAA93578-01	1- (1-Chloroethyl) -3-methylbenzene
UAA93575-01	1- (1-Chloroethyl) -4-nitrobenzene
FC139704-01	1-Chloroethyl isopropyl carbonate
ZDA46482-01	1-Chloroethyl propyl carbonate
RDA50803-01	Butyl 1-chloroethyl carbonate

Catalog	Name
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OR1054009-01	Ethyl 1- (hydroxymethyl) cyclohexanecarboxylate
sc-269404	Methyl 1-aminomethyl-cyclohexanecarboxylate HCl
OR1004805-01	Methyl 1- (3-phenylpropyl) cyclohexanecarboxylate
OR1024681-01	1,3-Dioxoisoindolin-2-yl cyclohexanecarboxylate
OR83878-01	Methyl 1- ((tert-butoxycarbonyl) amino) cyclohexanecarboxylate
OR78646-01	Methyl 1- (2- (benzyloxy) ethyl) cyclohexanecarboxylate
GTR19252683-01	Ethyl cis-2-hydroxy-1-cyclohexanecarboxylate, 98
OR470535	Methyl 4-Oxo-1- (o-tolyl) cyclohexanecarboxylate
PC510129	Methyl 4-Oxo-1- (2,4,5-trifluorophenyl) cyclohexanecarboxylate