2- (3-Bromo-5-fluorophenyl) ethanol

CAT: 0926-HLC47552-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-HLC47552-01Size:0.5 g

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CAS Number

1532475-52-7

MDL Number

MFCD23751591

Smiles

C1=C (C=C (C=C1F) Br) CCO

Molecular Formula

C8H8BrFO

Molecular Weight

219.05 g/mol

Controlled

Chemical Information

2-(3-Bromo-5-fluorophenyl)ethanol

CAS Number	1532475-52-7
PubChem CID	68633497
IUPAC Name	2-(3-bromo-5-fluorophenyl)ethanol
Molecular Formula	C8H8BrFO
Molecular Weight	219.05
XLogP	2.3
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	121

SMILES

C1=C(C=C(C=C1F)Br)CCO

InChI

InChI=1S/C8H8BrFO/c9-7-3-6(1-2-11)4-8(10)5-7/h3-5,11H,1-2H2

InChIKey

LBOZZPCFACVGEJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1532475-52-7

CID: 68633497

Formula: C8H8BrFO

MW: 219.05

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	219.05
XLogP3	2.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	217.97426
Monoisotopic Mass	217.97426
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	121
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
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Catalog	Name
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PC1020260-01	1- (3-bromo-2-chloro-5-fluorophenyl) ethanol
PC1019622-01	1- (3-Bromo-5-chloro-2-fluorophenyl) ethanol
PC1010963-01	1- (4-bromo-3-fluorophenyl) ethanol