Home Nitriles Benzonitrile, 4-amino-2-fluoro-3-methyl- (9CI)

Benzonitrile, 4-amino-2-fluoro-3-methyl- (9CI)

CAS No.:
757247-93-1
Catalog Number:
AG00GAJQ
Molecular Formula:
C8H7FN2
Molecular Weight:
150.1530
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Product Description
Catalog Number:
AG00GAJQ
Chemical Name:
Benzonitrile, 4-amino-2-fluoro-3-methyl- (9CI)
CAS Number:
757247-93-1
Molecular Formula:
C8H7FN2
Molecular Weight:
150.1530
MDL Number:
MFCD18826339
IUPAC Name:
4-amino-2-fluoro-3-methylbenzonitrile
InChI:
InChI=1S/C8H7FN2/c1-5-7(11)3-2-6(4-10)8(5)9/h2-3H,11H2,1H3
InChI Key:
GTAKXKONKSMWLZ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1F)C)N
Properties
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.059g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
150.156g/mol
Monoisotopic Mass:
150.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties