1- (2-Bromophenyl) -2,2-dichloroethanol

CAT: 0127-OR1088522-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1088522-01Size:250 mg

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CAS Number

2394840-30-1

MDL Number

MFCD34530273

Purity

95%

Smiles

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

Chemical Information

1-(2-Bromophenyl)-2,2-dichloroethanol

CAS Number	2394840-30-1
PubChem CID	164891968
IUPAC Name	1-(2-bromophenyl)-2,2-dichloroethanol
Molecular Formula	C8H7BrCl2O
Molecular Weight	269.95
XLogP	3.1
Topological Polar Surface Area	20.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	143

SMILES

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

InChI

InChI=1S/C8H7BrCl2O/c9-6-4-2-1-3-5(6)7(12)8(10)11/h1-4,7-8,12H

InChIKey

NXELTHITHHYAKC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2394840-30-1

CID: 164891968

Formula: C8H7BrCl2O

MW: 269.95

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	269.95
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	267.90573
Monoisotopic Mass	267.90573
Topological Polar Surface Area	20.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	143
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

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