Home Halogens Ethyl 3-chloro-4-cyanobenzoate

Ethyl 3-chloro-4-cyanobenzoate

CAS No.:
1228376-15-5
Catalog Number:
AG00HH17
Molecular Formula:
C10H8ClNO2
Molecular Weight:
209.6290
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Product Description
Catalog Number:
AG00HH17
Chemical Name:
Ethyl 3-chloro-4-cyanobenzoate
CAS Number:
1228376-15-5
Molecular Formula:
C10H8ClNO2
Molecular Weight:
209.6290
MDL Number:
MFCD18396038
IUPAC Name:
ethyl 3-chloro-4-cyanobenzoate
InChI:
InChI=1S/C10H8ClNO2/c1-2-14-10(13)7-3-4-8(6-12)9(11)5-7/h3-5H,2H2,1H3
InChI Key:
YWKJUFOBOSEUFR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(c1)Cl)C#N
Properties
Complexity:
258  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.024g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.629g/mol
Monoisotopic Mass:
209.024g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties