Home Halogens Methyl 2-chloro-5-cyanobenzoate

Methyl 2-chloro-5-cyanobenzoate

CAS No.:
914106-36-8
Catalog Number:
AG006N7O
Molecular Formula:
C9H6ClNO2
Molecular Weight:
195.6024
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$232
- +
1g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG006N7O
Chemical Name:
Methyl 2-chloro-5-cyanobenzoate
CAS Number:
914106-36-8
Molecular Formula:
C9H6ClNO2
Molecular Weight:
195.6024
MDL Number:
MFCD13192027
IUPAC Name:
methyl 2-chloro-5-cyanobenzoate
InChI:
InChI=1S/C9H6ClNO2/c1-13-9(12)7-4-6(5-11)2-3-8(7)10/h2-4H,1H3
InChI Key:
RGLQGCVEXOWXEK-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(C#N)ccc1Cl
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.009g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.602g/mol
Monoisotopic Mass:
195.009g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties