1- (2-bromo-3-fluorophenyl) ethanol

CAT: 0127-PC1023882-01Size: 250 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0127-PC1023882-01Size:250 mg

Selected

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

Quick Request Actions

CAS Number

1593042-45-5

MDL Number

MFCD28531730

Purity

97%

Smiles

C1 (cccc (c1Br) C (C) O) F

Chemical Information

1-(2-Bromo-3-fluorophenyl)ethan-1-ol

CAS Number	1593042-45-5
PubChem CID	76834075
IUPAC Name	1-(2-bromo-3-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=C(C(=CC=C1)F)Br)O

InChI

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

InChIKey

NJGWPBKNYSUIGK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1593042-45-5

CID: 76834075

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
413364-01	2- (3-Bromo-5-fluorophenyl) ethanol
THA29020-01	2- (4-Bromo-2-fluorophenyl) ethanol
HZB40768	1- (2-Bromo-6-fluorophenyl) ethanol
sc-334420	(1S) -1- (3-bromo-4-fluorophenyl) ethanol
sc-345364	(1R) -1- (3-bromo-4-fluorophenyl) ethanol
413186-01	2- (2-Fluorophenyl) ethanol
AAA40296-01	2-Amino-1- (3-fluorophenyl) ethanol
413408-01	2- (3-Chloro-4-fluorophenyl) ethanol
EDA90655-01	2- (3-Bromo-phenoxy) -ethanol
FA84488-01	(2S) -2-Amino-2- (3-fluorophenyl) ethanol