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

(4-chloro-2-cyanophenyl)methyl acetate

CAS No.:
1432679-22-5
Catalog Number:
AG01A51B
Molecular Formula:
C10H8ClNO2
Molecular Weight:
209.6290
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Product Description
Catalog Number:
AG01A51B
Chemical Name:
(4-chloro-2-cyanophenyl)methyl acetate
CAS Number:
1432679-22-5
Molecular Formula:
C10H8ClNO2
Molecular Weight:
209.6290
MDL Number:
MFCD24369203
IUPAC Name:
(4-chloro-2-cyanophenyl)methyl acetate
InChI:
InChI=1S/C10H8ClNO2/c1-7(13)14-6-8-2-3-10(11)4-9(8)5-12/h2-4H,6H2,1H3
InChI Key:
KARHIRHASQFDHI-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Cl)ccc1COC(=O)C
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  
Properties