(2-Chloroethoxy) cycloheptane

CAT: 0926-XZB39400-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-XZB39400-01Size:50 mg

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CAS Number

1247394-00-8

MDL Number

MFCD12784957

Smiles

C1CCCC (CC1) OCCCl

Molecular Formula

C9H17ClO

Molecular Weight

176.68 g/mol

Controlled

Chemical Information

(2-Chloroethoxy)cycloheptane

CAS Number	1247394-00-8
PubChem CID	54594276
IUPAC Name	2-chloroethoxycycloheptane
Molecular Formula	C9H17ClO
Molecular Weight	176.68
XLogP	3
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	11
Formal Charge	0
Complexity	87

SMILES

C1CCCC(CC1)OCCCl

InChI

InChI=1S/C9H17ClO/c10-7-8-11-9-5-3-1-2-4-6-9/h9H,1-8H2

InChIKey

YRYYDIGNLDTVIY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1247394-00-8

CID: 54594276

Formula: C9H17ClO

MW: 176.68

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	176.68
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	176.0967929
Monoisotopic Mass	176.0967929
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	87.6
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
DCA06704-01	(2-Chloroethoxy) cyclohexane
XAA57930-01	(2-Bromoethyl) cycloheptane
ZZB41902-01	(2-Aminoethoxy) cycloheptane
PDC58177-01	(2-Chloroethoxy) cyclobutane
DAA00839-01	Cycloheptane-1,2-dione
EBA57913-01	2- (2-Chloroethoxy) benzamide
BAA74067-01	3- (2-Chloroethoxy) propanenitrile
DAA81432	(Bromomethyl) cycloheptane
ECA37315	4- (2-Chloroethoxy) benzaldehyde
FE154701-01	Ethyl 2- (2-chloroethoxy) acetate

Catalog	Name
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