Home Nitriles Benzeneacetonitrile, 3-fluoro-5-methyl- (9CI)

Benzeneacetonitrile, 3-fluoro-5-methyl- (9CI)

CAS No.:
518070-21-8
Catalog Number:
AG00DFP2
Molecular Formula:
C9H8FN
Molecular Weight:
149.1649
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Product Description
Catalog Number:
AG00DFP2
Chemical Name:
Benzeneacetonitrile, 3-fluoro-5-methyl- (9CI)
CAS Number:
518070-21-8
Molecular Formula:
C9H8FN
Molecular Weight:
149.1649
MDL Number:
MFCD03094317
IUPAC Name:
2-(3-fluoro-5-methylphenyl)acetonitrile
InChI:
InChI=1S/C9H8FN/c1-7-4-8(2-3-11)6-9(10)5-7/h4-6H,2H2,1H3
InChI Key:
YFJTYGYGDNXMML-UHFFFAOYSA-N
SMILES:
N#CCc1cc(C)cc(c1)F
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.064g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
149.168g/mol
Monoisotopic Mass:
149.064g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties