Home Halogens 2,6-Dichloro-4-cyanobenzoic acid

2,6-Dichloro-4-cyanobenzoic acid

CAS No.:
1258298-05-3
Catalog Number:
AG000OSP
Molecular Formula:
C8H3Cl2NO2
Molecular Weight:
216.0209
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$375
- +
Product Description
Catalog Number:
AG000OSP
Chemical Name:
2,6-Dichloro-4-cyanobenzoic acid
CAS Number:
1258298-05-3
Molecular Formula:
C8H3Cl2NO2
Molecular Weight:
216.0209
MDL Number:
MFCD17926545
IUPAC Name:
2,6-dichloro-4-cyanobenzoic acid
InChI:
InChI=1S/C8H3Cl2NO2/c9-5-1-4(3-11)2-6(10)7(5)8(12)13/h1-2H,(H,12,13)
InChI Key:
RABGVNSIHQKYAS-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Cl)c(c(c1)Cl)C(=O)O
Properties
Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.954g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
216.017g/mol
Monoisotopic Mass:
214.954g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties