Home Other Building Blocks 2-[3-(TRIFLUOROMETHYL)PHENYL]PROPANENITRILE

2-[3-(TRIFLUOROMETHYL)PHENYL]PROPANENITRILE

CAS No.:
175225-48-6
Catalog Number:
AG01DYVC
Molecular Formula:
C10H8F3N
Molecular Weight:
199.1724
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Product Description
Catalog Number:
AG01DYVC
Chemical Name:
2-[3-(TRIFLUOROMETHYL)PHENYL]PROPANENITRILE
CAS Number:
175225-48-6
Molecular Formula:
C10H8F3N
Molecular Weight:
199.1724
MDL Number:
MFCD11036543
IUPAC Name:
2-[3-(trifluoromethyl)phenyl]propanenitrile
InChI:
InChI=1S/C10H8F3N/c1-7(6-14)8-3-2-4-9(5-8)10(11,12)13/h2-5,7H,1H3
InChI Key:
HEMKYZFNRRHYHH-UHFFFAOYSA-N
SMILES:
N#CC(c1cccc(c1)C(F)(F)F)C
Properties
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.061g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
199.176g/mol
Monoisotopic Mass:
199.061g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties