Home Nitriles Benzeneacetonitrile, 3-fluoro-2-methyl- (9CI)

Benzeneacetonitrile, 3-fluoro-2-methyl- (9CI)

CAS No.:
500912-15-2
Catalog Number:
AG00DC12
Molecular Formula:
C9H8FN
Molecular Weight:
149.1649
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Product Description
Catalog Number:
AG00DC12
Chemical Name:
Benzeneacetonitrile, 3-fluoro-2-methyl- (9CI)
CAS Number:
500912-15-2
Molecular Formula:
C9H8FN
Molecular Weight:
149.1649
MDL Number:
MFCD03788544
IUPAC Name:
2-(3-fluoro-2-methylphenyl)acetonitrile
InChI:
InChI=1S/C9H8FN/c1-7-8(5-6-11)3-2-4-9(7)10/h2-4H,5H2,1H3
InChI Key:
AYTNRVRHECGBPZ-UHFFFAOYSA-N
SMILES:
Cc1c(CC#N)cccc1F
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