Home Halogens Methyl 5-chloro-2-cyanobenzoate

Methyl 5-chloro-2-cyanobenzoate

CAS No.:
439117-38-1
Catalog Number:
AG0072VO
Molecular Formula:
C9H6ClNO2
Molecular Weight:
195.6024
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$189
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Product Description
Catalog Number:
AG0072VO
Chemical Name:
Methyl 5-chloro-2-cyanobenzoate
CAS Number:
439117-38-1
Molecular Formula:
C9H6ClNO2
Molecular Weight:
195.6024
MDL Number:
MFCD08234733
IUPAC Name:
methyl 5-chloro-2-cyanobenzoate
InChI:
InChI=1S/C9H6ClNO2/c1-13-9(12)8-4-7(10)3-2-6(8)5-11/h2-4H,1H3
InChI Key:
RGFRWPAIDRIKSH-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)ccc1C#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:
3.1  
Properties