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Home Halogens 2-Bromo-4-chlorotoluene

2-Bromo-4-chlorotoluene

CAS No.:
27139-97-5
Catalog Number:
AG003GNZ
Molecular Formula:
C7H6BrCl
Molecular Weight:
205.4795
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$25
- +
100g
98%
In Stock USA
United States
$75
- +
500g
98%
In Stock USA
United States
$263
- +
Product Description
Catalog Number:
AG003GNZ
Chemical Name:
2-Bromo-4-chlorotoluene
CAS Number:
27139-97-5
Molecular Formula:
C7H6BrCl
Molecular Weight:
205.4795
MDL Number:
MFCD00060650
IUPAC Name:
2-bromo-4-chloro-1-methylbenzene
InChI:
InChI=1S/C7H6BrCl/c1-5-2-3-6(9)4-7(5)8/h2-4H,1H3
InChI Key:
CSUUXPHPCXHYGY-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Br)C
Properties
Complexity:
94.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.934g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.479g/mol
Monoisotopic Mass:
203.934g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Literature
Title Journal
Vibrational spectroscopic (FT-IR and FT-Raman), first-order hyperpolarizablity, HOMO, LUMO, NBO, Mulliken charges and structure determination of 2-bromo-4-chlorotoluene. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20110901
Properties