Home Halogens Methyl 4-chloro-3-(cyanomethyl)benzoate

Methyl 4-chloro-3-(cyanomethyl)benzoate

CAS No.:
872091-83-3
Catalog Number:
AG0033ZE
Molecular Formula:
C10H8ClNO2
Molecular Weight:
209.6290
Pack Size
Purity
Availability
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Price(USD)
Quantity
  
1g
95%
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United States
$43
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Product Description
Catalog Number:
AG0033ZE
Chemical Name:
Methyl 4-chloro-3-(cyanomethyl)benzoate
CAS Number:
872091-83-3
Molecular Formula:
C10H8ClNO2
Molecular Weight:
209.6290
MDL Number:
MFCD09263465
IUPAC Name:
methyl 4-chloro-3-(cyanomethyl)benzoate
InChI:
InChI=1S/C10H8ClNO2/c1-14-10(13)8-2-3-9(11)7(6-8)4-5-12/h2-3,6H,4H2,1H3
InChI Key:
BCVKNCFKAFOXOI-UHFFFAOYSA-N
SMILES:
N#CCc1cc(ccc1Cl)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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties