Home Halogens methyl 2-(3-chlorophenyl)-2-cyanoacetate

methyl 2-(3-chlorophenyl)-2-cyanoacetate

CAS No.:
1218951-00-8
Catalog Number:
AG01BAPO
Molecular Formula:
C10H8ClNO2
Molecular Weight:
209.6290
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Product Description
Catalog Number:
AG01BAPO
Chemical Name:
methyl 2-(3-chlorophenyl)-2-cyanoacetate
CAS Number:
1218951-00-8
Molecular Formula:
C10H8ClNO2
Molecular Weight:
209.6290
MDL Number:
MFCD19316633
IUPAC Name:
methyl 2-(3-chlorophenyl)-2-cyanoacetate
InChI:
InChI=1S/C10H8ClNO2/c1-14-10(13)9(6-12)7-3-2-4-8(11)5-7/h2-5,9H,1H3
InChI Key:
GCMXNRWGEQVNFC-UHFFFAOYSA-N
SMILES:
N#CC(c1cccc(c1)Cl)C(=O)OC
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties