Home Halogens 2-(2-chloro-3-methoxyphenyl)acetonitrile

2-(2-chloro-3-methoxyphenyl)acetonitrile

CAS No.:
52516-45-7
Catalog Number:
AG01B281
Molecular Formula:
C9H8ClNO
Molecular Weight:
181.6189
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01B281
Chemical Name:
2-(2-chloro-3-methoxyphenyl)acetonitrile
CAS Number:
52516-45-7
Molecular Formula:
C9H8ClNO
Molecular Weight:
181.6189
MDL Number:
MFCD18393599
IUPAC Name:
2-(2-chloro-3-methoxyphenyl)acetonitrile
InChI:
InChI=1S/C9H8ClNO/c1-12-8-4-2-3-7(5-6-11)9(8)10/h2-4H,5H2,1H3
InChI Key:
SBNAWMUTUZYWDL-UHFFFAOYSA-N
SMILES:
N#CCc1cccc(c1Cl)OC
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:
2.2  
Properties