1- (3-Bromo-4-fluorophenyl) ethanol

CAT: 0127-PC1006755-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-PC1006755-01Size:1 g

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

900175-01-1

MDL Number

MFCD12147617

Purity

98%

Smiles

CC(O)C1=CC(Br)=C(F)C=C1

Chemical Information

1-(3-Bromo-4-fluorophenyl)ethanol

CAS Number	900175-01-1
PubChem CID	20785306
IUPAC Name	1-(3-bromo-4-fluorophenyl)ethanol
Molecular Formula	C8H8BrFO
Molecular Weight	219.05
XLogP	2.2
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	131

SMILES

CC(C1=CC(=C(C=C1)F)Br)O

InChI

InChI=1S/C8H8BrFO/c1-5(11)6-2-3-8(10)7(9)4-6/h2-5,11H,1H3

InChIKey

TWIOVUXOLMANJU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 900175-01-1

CID: 20785306

Formula: C8H8BrFO

MW: 219.05

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	219.05
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	217.97426
Monoisotopic Mass	217.97426
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	131
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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
sc-334420	(1S) -1- (3-bromo-4-fluorophenyl) ethanol
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