3,5-Dichlorophenethyl bromide

CAT: 0127-OR1072690-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1072690-01Size:100 mg

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CAS Number

93427-14-6

MDL Number

MFCD20432741

Purity

95%

Smiles

ClC1=CC(Cl)=CC(CCBr)=C1

Chemical Information

1-(2-Bromoethyl)-3,5-dichlorobenzene

CAS Number	93427-14-6
PubChem CID	22929634
IUPAC Name	1-(2-bromoethyl)-3,5-dichlorobenzene
Molecular Formula	C8H7BrCl2
Molecular Weight	253.95
XLogP	4.2
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	109

SMILES

C1=C(C=C(C=C1Cl)Cl)CCBr

InChI

InChI=1S/C8H7BrCl2/c9-2-1-6-3-7(10)5-8(11)4-6/h3-5H,1-2H2

InChIKey

LJLBCAVZAJPFMH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 93427-14-6

CID: 22929634

Formula: C8H7BrCl2

MW: 253.95

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	253.95
XLogP3	4.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	2
Exact Mass	251.91082
Monoisotopic Mass	251.91082
Topological Polar Surface Area	0 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	109
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

Catalog	Name
OR1052320-01	2,3-Dichlorophenethyl bromide
OR917823	3,5-Dichlorophenethyl alcohol
OR931635-01	2,5-Dichlorophenethyl alcohol
OR1002429	4- (3,4-Dichlorophenethyl) aniline
OR322707	2- (3,4-Dichlorophenethyl) isothiourea
PC4445	3,5-Difluorobenzylzinc bromide
PC4473-01	3,5-Difluorophenacyl bromide
PC2746-01	3,5-Difluorobenzyl bromide
PC5226	3,5-Difluorophenylmagnesium bromide
OR11305-01	3,5-Dimethoxybenzyl bromide