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Home > Bromides > 14862-52-3

14862-52-3

14862-52-3 | Benzene, 1,3-dibromo-5-chloro-

CAS No: 14862-52-3 Catalog No: AG001L3O MDL No:MFCD00070765

Product Description

Catalog Number:
AG001L3O
Chemical Name:
Benzene, 1,3-dibromo-5-chloro-
CAS Number:
14862-52-3
Molecular Formula:
C6H3Br2Cl
Molecular Weight:
270.3490
MDL Number:
MFCD00070765
IUPAC Name:
1,3-dibromo-5-chlorobenzene
InChI:
InChI=1S/C6H3Br2Cl/c7-4-1-5(8)3-6(9)2-4/h1-3H
InChI Key:
FNKCOUREFBNNHG-UHFFFAOYSA-N
SMILES:
Clc1cc(Br)cc(c1)Br

Properties

Complexity:
87.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.827g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.348g/mol
Monoisotopic Mass:
267.829g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  

Literature

Title Journal
Quantum chemical studies on structure of 1-3-dibromo-5-chlorobenzene. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20111101

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