1- (2-bromophenyl) -2,2,2-trichloroethanol

CAT: 0127-OR1091951-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1091951-01Size:250 mg

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CAS Number

339274-25-8

MDL Number

MFCD09991499

Purity

95%

Smiles

C1ccc (c (c1) C (O) C (Cl) (Cl) Cl) Br

Chemical Information

1-(2-Bromophenyl)-2,2,2-trichloroethanol

CAS Number	339274-25-8
PubChem CID	23460387
IUPAC Name	1-(2-bromophenyl)-2,2,2-trichloroethanol
Molecular Formula	C8H6BrCl3O
Molecular Weight	304.4
XLogP	3.6
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	13
Formal Charge	0
Complexity	171

SMILES

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

InChI

InChI=1S/C8H6BrCl3O/c9-6-4-2-1-3-5(6)7(13)8(10,11)12/h1-4,7,13H

InChIKey

ZREWQCZWNUMQPA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 339274-25-8

CID: 23460387

Formula: C8H6BrCl3O

MW: 304.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	304.4
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	301.86676
Monoisotopic Mass	301.86676
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	171
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
M28141-01	2,2,2-Trichloroethanol
920010	2,2,2‐TRICHLOROETHANOL
TRC-T432870-500MG	2,2,2-Trichloroethanol-d2
GPS5480-W	2,2,2-Trichloroethanol 99%
HY-B1500R-01	2,2,2-Trichloroethanol (Standard)
sc-213920	2,2,2-Trichloroethanol-13C2, D2
TRC-T774107-10MG	2,2,2-Trichloroethanol-13C2,D2
94076-01	2,2,2-Trichloroethanol pure, 98%
sc-264979	1,1-Bis (trifluoromethyl) -2,2,2-trichloroethanol