Home Halogens methyl 3-chloro-2-cyano-5-fluorobenzoate

methyl 3-chloro-2-cyano-5-fluorobenzoate

CAS No.:
1805561-21-0
Catalog Number:
AG01BV7K
Molecular Formula:
C9H5ClFNO2
Molecular Weight:
213.5929
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Product Description
Catalog Number:
AG01BV7K
Chemical Name:
methyl 3-chloro-2-cyano-5-fluorobenzoate
CAS Number:
1805561-21-0
Molecular Formula:
C9H5ClFNO2
Molecular Weight:
213.5929
MDL Number:
MFCD28747787
IUPAC Name:
methyl 3-chloro-2-cyano-5-fluorobenzoate
InChI:
InChI=1S/C9H5ClFNO2/c1-14-9(13)6-2-5(11)3-8(10)7(6)4-12/h2-3H,1H3
InChI Key:
FRVGUKGYJCLOCM-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(F)cc(c1C#N)Cl
Properties
Complexity:
275  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.999g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.592g/mol
Monoisotopic Mass:
212.999g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties