Home Nitriles Benzonitrile, 2-methyl-3-(trifluoromethyl)-

Benzonitrile, 2-methyl-3-(trifluoromethyl)-

CAS No.:
261952-02-7
Catalog Number:
AG002S7F
Molecular Formula:
C9H6F3N
Molecular Weight:
185.1458
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Product Description
Catalog Number:
AG002S7F
Chemical Name:
Benzonitrile, 2-methyl-3-(trifluoromethyl)-
CAS Number:
261952-02-7
Molecular Formula:
C9H6F3N
Molecular Weight:
185.1458
MDL Number:
MFCD01631593
IUPAC Name:
2-methyl-3-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C9H6F3N/c1-6-7(5-13)3-2-4-8(6)9(10,11)12/h2-4H,1H3
InChI Key:
HXGUSYYIWFJFGY-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1C)C(F)(F)F
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.045g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.149g/mol
Monoisotopic Mass:
185.045g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties