1- (4-bromophenyl) -2,2-difluoroethanol

CAT: 0127-PC1009777-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1009777-01Size:250 mg

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

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CAS Number

1255706-18-3

MDL Number

MFCD23382002

Purity

95%

Smiles

C1c (ccc (c1) C (C (F) F) O) Br

Chemical Information

1-(4-Bromophenyl)-2,2-difluoroethan-1-ol

CAS Number	1255706-18-3
PubChem CID	15942204
IUPAC Name	1-(4-bromophenyl)-2,2-difluoroethanol
Molecular Formula	C8H7BrF2O
Molecular Weight	237.04
XLogP	2.6
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	135

SMILES

C1=CC(=CC=C1C(C(F)F)O)Br

InChI

InChI=1S/C8H7BrF2O/c9-6-3-1-5(2-4-6)7(12)8(10)11/h1-4,7-8,12H

InChIKey

MACLWDXHRYFAPX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1255706-18-3

CID: 15942204

Formula: C8H7BrF2O

MW: 237.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	237.04
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	235.96483
Monoisotopic Mass	235.96483
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	135
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
PC1002494-01	1- (4-Bromophenyl) -2,2-difluoroethanone
PC1008721-01	2- (4-Bromophenyl) -2,2-Difluoroethan-1-Ol
PC102609-01	2- (4-Bromophenyl) -2,2-difluoroethan-1-amine
PC408153	2-Chloro-2,2-difluoroethanol
PC107029-01	2-Bromo-2,2-difluoroethanol
OR1081619-01	(2-bromophenyl) (4-bromophenyl) methanol
OR1093129-01	1- (4-bromophenyl) -2,2-dichloroethanol
PC1012187-01	1- (3-Chloro-2-fluorophenyl) -2,2-difluoroethanol
PC1022570	1- (4-bromophenyl) -2-fluoroethanone
OR3093-01	1- (4-Bromophenyl) -2-thiourea

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