Home Halogens 2-chloro-4-cyano-6-fluorobenzoic acid

2-chloro-4-cyano-6-fluorobenzoic acid

CAS No.:
1258298-29-1
Catalog Number:
AG000OSO
Molecular Formula:
C8H3ClFNO2
Molecular Weight:
199.5663
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG000OSO
Chemical Name:
2-chloro-4-cyano-6-fluorobenzoic acid
CAS Number:
1258298-29-1
Molecular Formula:
C8H3ClFNO2
Molecular Weight:
199.5663
MDL Number:
MFCD22690817
IUPAC Name:
2-chloro-4-cyano-6-fluorobenzoic acid
InChI:
InChI=1S/C8H3ClFNO2/c9-5-1-4(3-11)2-6(10)7(5)8(12)13/h1-2H,(H,12,13)
InChI Key:
WWFWDVYYRPLSKP-UHFFFAOYSA-N
SMILES:
N#Cc1cc(F)c(c(c1)Cl)C(=O)O
Properties
Complexity:
262  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.984g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
199.565g/mol
Monoisotopic Mass:
198.984g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties