Home Nitriles 3-Chloro-4-ethoxybenzonitrile

3-Chloro-4-ethoxybenzonitrile

CAS No.:
916596-02-6
Catalog Number:
AG00H159
Molecular Formula:
C9H8ClNO
Molecular Weight:
181.6189
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$285
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Product Description
Catalog Number:
AG00H159
Chemical Name:
3-Chloro-4-ethoxybenzonitrile
CAS Number:
916596-02-6
Molecular Formula:
C9H8ClNO
Molecular Weight:
181.6189
MDL Number:
MFCD10666511
IUPAC Name:
3-chloro-4-ethoxybenzonitrile
InChI:
InChI=1S/C9H8ClNO/c1-2-12-9-4-3-7(6-11)5-8(9)10/h3-5H,2H2,1H3
InChI Key:
XEOUAHORYSGJPD-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1Cl)C#N
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.029g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.619g/mol
Monoisotopic Mass:
181.029g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties