Home Nitriles 3,3-difluoro-2-phenylbutanenitrile

3,3-difluoro-2-phenylbutanenitrile

CAS No.:
2114570-83-9
Catalog Number:
AG01EJSC
Molecular Formula:
C10H9F2N
Molecular Weight:
181.1820
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Product Description
Catalog Number:
AG01EJSC
Chemical Name:
3,3-difluoro-2-phenylbutanenitrile
CAS Number:
2114570-83-9
Molecular Formula:
C10H9F2N
Molecular Weight:
181.1820
MDL Number:
MFCD31691157
IUPAC Name:
3,3-difluoro-2-phenylbutanenitrile
InChI:
InChI=1S/C10H9F2N/c1-10(11,12)9(7-13)8-5-3-2-4-6-8/h2-6,9H,1H3
InChI Key:
GEWJPQKGEWSBIN-UHFFFAOYSA-N
SMILES:
N#CC(C(F)(F)C)c1ccccc1
Properties
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.07g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.186g/mol
Monoisotopic Mass:
181.07g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties