2- (4-Bromo-2-fluorophenyl) ethanol

CAT: 0926-THA29020-01Size: 0.5 gDry Ice: NoHazardous: No

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CAT#:0926-THA29020-01Size:0.5 g

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

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CAS Number

193290-20-9

MDL Number

MFCD19622817

Smiles

C1=CC (=C (C=C1Br) F) CCO

Molecular Formula

C8H8BrFO

Molecular Weight

219.05 g/mol

Controlled

Chemical Information

4-Bromo-2-fluorobenzeneethanol

CAS Number	193290-20-9
PubChem CID	53660694
IUPAC Name	2-(4-bromo-2-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=CC(=C(C=C1Br)F)CCO

InChI

InChI=1S/C8H8BrFO/c9-7-2-1-6(3-4-11)8(10)5-7/h1-2,5,11H,3-4H2

InChIKey

ATAZLKFXFGKSGH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 193290-20-9

CID: 53660694

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

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