3,5-Dichlorobromobenzene

CAT: 0127-OR19527-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR19527-01Size:25 g

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CAS Number

19752-55-7

Synonyms

1-Bromo-3,5-dichlorobenzene

MDL Number

MFCD00000584

Purity

98%

Smiles

Clc1cc(Cl)cc(Br)c1

Chemical Information

Benzene, 1-bromo-3,5-dichloro-

CAS Number	19752-55-7
PubChem CID	29766
IUPAC Name	1-bromo-3,5-dichlorobenzene
Molecular Formula	C6H3BrCl2
Molecular Weight	225.89
XLogP	4.3
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	87

SMILES

C1=C(C=C(C=C1Cl)Br)Cl

InChI

InChI=1S/C6H3BrCl2/c7-4-1-5(8)3-6(9)2-4/h1-3H

InChIKey

DZHFFMWJXJBBRG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 19752-55-7

CID: 29766

Formula: C6H3BrCl2

MW: 225.89

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	225.89
XLogP3	4.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	223.87952
Monoisotopic Mass	223.87952
Topological Polar Surface Area	0 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	87.1
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

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