2- (2-bromoethoxy) naphthalene

CAT: 0024-sc-334700Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-334700Size:1 g

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CAS Number

13247-80-8

Chemical Information

2-(2-Bromoethoxy)naphthalene

CAS Number	13247-80-8
PubChem CID	640692
IUPAC Name	2-(2-bromoethoxy)naphthalene
Molecular Formula	C12H11BrO
Molecular Weight	251.12
XLogP	4.2
Topological Polar Surface Area	9.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	14
Formal Charge	0
Complexity	172

SMILES

C1=CC=C2C=C(C=CC2=C1)OCCBr

InChI

InChI=1S/C12H11BrO/c13-7-8-14-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2

InChIKey

NKALVESVNGTFHZ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 13247-80-8

CID: 640692

Formula: C12H11BrO

MW: 251.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	251.12
XLogP3	4.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	249.99933
Monoisotopic Mass	249.99933
Topological Polar Surface Area	9.2 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	172
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
sc-341561A	(2-bromoethoxy) cyclohexane
sc-341562A	(2-bromoethoxy) cyclopentane
sc-341561	(2-bromoethoxy) cyclohexane
sc-304580A	2- (2-Bromoethoxy) benzenecarbaldehyde
sc-304580	2- (2-Bromoethoxy) benzenecarbaldehyde
sc-334698A	2- (2-bromoethoxy) benzonitrile
sc-334698	2- (2-bromoethoxy) benzonitrile
sc-341562	(2-bromoethoxy) cyclopentane
sc-273742	2- (2-bromoethoxy) propane
sc-334699	[2- (2-bromoethoxy) ethoxy]benzene

Catalog	Name
NAA24780-01	2- (2-bromoethoxy) naphthalene
OR1064880-01	1- (2-Bromoethoxy) naphthalene
TRC-C384808-5G	2-(Chloromethyl)naphthalene
TRC-N756615-500MG	Naphthalene-2-sulfonohydrazide
PC1007236-01	2- (Difluoromethyl) naphthalene
OR1004025-01	Naphthalene-2-sulphonohydrazide
OR14019-01	Naphthalene-2-amidoxime
OR1009813-01	2- (Chloromethyl) Naphthalene
FB30097-01	2- (Bromomethyl) naphthalene
abx182930-01	2-(Bromomethyl)naphthalene