Home Halogens 4-Bromo-3-chloro-2-methylbenzonitrile

4-Bromo-3-chloro-2-methylbenzonitrile

CAS No.:
1349716-41-1
Catalog Number:
AG01FD1M
Molecular Formula:
C8H5BrClN
Molecular Weight:
230.4890
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
1 week
United States
$855
- +
5g
98%
1 week
United States
$2488
- +
Product Description
Catalog Number:
AG01FD1M
Chemical Name:
4-Bromo-3-chloro-2-methylbenzonitrile
CAS Number:
1349716-41-1
Molecular Formula:
C8H5BrClN
Molecular Weight:
230.4890
MDL Number:
MFCD19686177
IUPAC Name:
4-bromo-3-chloro-2-methylbenzonitrile
InChI:
InChI=1S/C8H5BrClN/c1-5-6(4-11)2-3-7(9)8(5)10/h2-3H,1H3
InChI Key:
BRRXSWUWAHOPBN-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1C)Cl)Br
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.929g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.489g/mol
Monoisotopic Mass:
228.929g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties