Home Nitriles 2-(3-(Difluoromethoxy)phenyl)acetonitrile

2-(3-(Difluoromethoxy)phenyl)acetonitrile

CAS No.:
41429-18-9
Catalog Number:
AG003AXK
Molecular Formula:
C9H7F2NO
Molecular Weight:
183.1548
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Product Description
Catalog Number:
AG003AXK
Chemical Name:
2-(3-(Difluoromethoxy)phenyl)acetonitrile
CAS Number:
41429-18-9
Molecular Formula:
C9H7F2NO
Molecular Weight:
183.1548
MDL Number:
MFCD00236241
IUPAC Name:
2-[3-(difluoromethoxy)phenyl]acetonitrile
InChI:
InChI=1S/C9H7F2NO/c10-9(11)13-8-3-1-2-7(6-8)4-5-12/h1-3,6,9H,4H2
InChI Key:
LBUREXPMNBZKFH-UHFFFAOYSA-N
SMILES:
N#CCc1cccc(c1)OC(F)F
Properties
Complexity:
199  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.05g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.158g/mol
Monoisotopic Mass:
183.05g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties