Home Halogens 2-(2-chlorophenyl)-2-methoxyacetonitrile

2-(2-chlorophenyl)-2-methoxyacetonitrile

CAS No.:
1394671-01-2
Catalog Number:
AG01A0WB
Molecular Formula:
C9H8ClNO
Molecular Weight:
181.6189
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Product Description
Catalog Number:
AG01A0WB
Chemical Name:
2-(2-chlorophenyl)-2-methoxyacetonitrile
CAS Number:
1394671-01-2
Molecular Formula:
C9H8ClNO
Molecular Weight:
181.6189
MDL Number:
MFCD21684358
IUPAC Name:
2-(2-chlorophenyl)-2-methoxyacetonitrile
InChI:
InChI=1S/C9H8ClNO/c1-12-9(6-11)7-4-2-3-5-8(7)10/h2-5,9H,1H3
InChI Key:
XCZZVTNTIRSPFT-UHFFFAOYSA-N
SMILES:
COC(c1ccccc1Cl)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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties