3- (Chloromethyl) cyclohexan-1-ol

CAT: 0926-ZDA41963-02Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-ZDA41963-02Size:0.5 g

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CAS Number

99419-63-3

MDL Number

MFCD19235082

Smiles

C1CC (CC (C1) O) CCl

Molecular Formula

C7H13ClO

Molecular Weight

148.63 g/mol

Controlled

Chemical Information

3-(Chloromethyl)cyclohexan-1-ol

CAS Number	99419-63-3
PubChem CID	55303021
IUPAC Name	3-(chloromethyl)cyclohexan-1-ol
Molecular Formula	C7H13ClO
Molecular Weight	148.63
XLogP	1.7
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	9
Formal Charge	0
Complexity	85

SMILES

C1CC(CC(C1)O)CCl

InChI

InChI=1S/C7H13ClO/c8-5-6-2-1-3-7(9)4-6/h6-7,9H,1-5H2

InChIKey

CNBXMNAOXSVAFB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 99419-63-3

CID: 55303021

Formula: C7H13ClO

MW: 148.63

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	148.63
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	148.0654927
Monoisotopic Mass	148.0654927
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	85
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
BCA75567-01	3- (Methylsulfanyl) cyclohexan-1-ol
HWC34680-01	3- (Bromomethyl) cyclohexan-1-ol
SDC66372-01	2- (3-Methylcyclohexyl) cyclohexan-1-ol
KQD93673-01	3- (Dimethylamino) cyclohexan-1-ol hydrochloride
RDA42585-01	2- (3-Aminopropyl) cyclohexan-1-ol
QAA75347-01	1- (Hydroxymethyl) cyclohexan-1-ol
FE34314	1-Ethynyl-cyclohexan-1-ol
SAA29910-01	1- (Bromomethyl) cyclohexan-1-ol
NLC67128-01	1- (Difluoromethyl) cyclohexan-1-ol
CCA18364-01	1- (Dichloromethyl) cyclohexan-1-ol

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