Home Nitriles 2-[4-(difluoromethoxy)-3-methoxyphenyl]acetonitrile

2-[4-(difluoromethoxy)-3-methoxyphenyl]acetonitrile

CAS No.:
852851-91-3
Catalog Number:
AG019O8M
Molecular Formula:
C10H9F2NO2
Molecular Weight:
213.1808
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Product Description
Catalog Number:
AG019O8M
Chemical Name:
2-[4-(difluoromethoxy)-3-methoxyphenyl]acetonitrile
CAS Number:
852851-91-3
Molecular Formula:
C10H9F2NO2
Molecular Weight:
213.1808
MDL Number:
MFCD06655670
IUPAC Name:
2-[4-(difluoromethoxy)-3-methoxyphenyl]acetonitrile
InChI:
InChI=1S/C10H9F2NO2/c1-14-9-6-7(4-5-13)2-3-8(9)15-10(11)12/h2-3,6,10H,4H2,1H3
InChI Key:
KGGCQRVATOPOOI-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(c(c1)OC)OC(F)F
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.06g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.184g/mol
Monoisotopic Mass:
213.06g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties