Home Halogens methyl 3-chloro-5-cyanobenzoate

methyl 3-chloro-5-cyanobenzoate

CAS No.:
327056-72-4
Catalog Number:
AG00CMOD
Molecular Formula:
C9H6ClNO2
Molecular Weight:
195.6024
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00CMOD
Chemical Name:
methyl 3-chloro-5-cyanobenzoate
CAS Number:
327056-72-4
Molecular Formula:
C9H6ClNO2
Molecular Weight:
195.6024
MDL Number:
MFCD11976045
IUPAC Name:
methyl 3-chloro-5-cyanobenzoate
InChI:
InChI=1S/C9H6ClNO2/c1-13-9(12)7-2-6(5-11)3-8(10)4-7/h2-4H,1H3
InChI Key:
JCOFSHLLQXPNDX-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)cc(c1)C#N
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:
2.5  
Properties