Home Halogens methyl 2-chloro-2-(4-cyanophenyl)acetate

methyl 2-chloro-2-(4-cyanophenyl)acetate

CAS No.:
52798-42-2
Catalog Number:
AG01AK9A
Molecular Formula:
C10H8ClNO2
Molecular Weight:
209.6290
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01AK9A
Chemical Name:
methyl 2-chloro-2-(4-cyanophenyl)acetate
CAS Number:
52798-42-2
Molecular Formula:
C10H8ClNO2
Molecular Weight:
209.6290
MDL Number:
MFCD19982481
IUPAC Name:
methyl 2-chloro-2-(4-cyanophenyl)acetate
InChI:
InChI=1S/C10H8ClNO2/c1-14-10(13)9(11)8-4-2-7(6-12)3-5-8/h2-5,9H,1H3
InChI Key:
SCRAESCCIFDCDR-UHFFFAOYSA-N
SMILES:
COC(=O)C(c1ccc(cc1)C#N)Cl
Properties
Complexity:
250  
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:
2.2  
Properties