2- (2-Bromophenoxy) ethanol

CAT: 0127-OR1050193-02Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1050193-02Size:250 mg

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CAS Number

34743-89-0

MDL Number

MFCD11147863

Purity

95%

Smiles

BrC1=CC=CC=C1OCCO

Chemical Information

2-(2-Bromophenoxy)ethanol

CAS Number	34743-89-0
PubChem CID	11106802
IUPAC Name	2-(2-bromophenoxy)ethanol
Molecular Formula	C8H9BrO2
Molecular Weight	217.06
XLogP	2.2
Topological Polar Surface Area	29.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	11
Formal Charge	0
Complexity	108

SMILES

C1=CC=C(C(=C1)OCCO)Br

InChI

InChI=1S/C8H9BrO2/c9-7-3-1-2-4-8(7)11-6-5-10/h1-4,10H,5-6H2

InChIKey

KKLBXMUYKQBAAB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 34743-89-0

CID: 11106802

Formula: C8H9BrO2

MW: 217.06

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	217.06
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	215.97859
Monoisotopic Mass	215.97859
Topological Polar Surface Area	29.5 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	108
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

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