Home Halogens 2-(3-chloro-5-methoxyphenyl)acetonitrile

2-(3-chloro-5-methoxyphenyl)acetonitrile

CAS No.:
178486-31-2
Catalog Number:
AG01BVPU
Molecular Formula:
C9H8ClNO
Molecular Weight:
181.6189
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Product Description
Catalog Number:
AG01BVPU
Chemical Name:
2-(3-chloro-5-methoxyphenyl)acetonitrile
CAS Number:
178486-31-2
Molecular Formula:
C9H8ClNO
Molecular Weight:
181.6189
MDL Number:
MFCD18393602
IUPAC Name:
2-(3-chloro-5-methoxyphenyl)acetonitrile
InChI:
InChI=1S/C9H8ClNO/c1-12-9-5-7(2-3-11)4-8(10)6-9/h4-6H,2H2,1H3
InChI Key:
NREQDYYHKLEOPH-UHFFFAOYSA-N
SMILES:
N#CCc1cc(OC)cc(c1)Cl
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