Home Other Building Blocks 2-AMINO-2-(4'-FLUOROPHENYL)ACETONITRILE

2-AMINO-2-(4'-FLUOROPHENYL)ACETONITRILE

CAS No.:
56464-70-1
Catalog Number:
AG00EB9C
Molecular Formula:
C8H7FN2
Molecular Weight:
150.1530
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Product Description
Catalog Number:
AG00EB9C
Chemical Name:
2-AMINO-2-(4'-FLUOROPHENYL)ACETONITRILE
CAS Number:
56464-70-1
Molecular Formula:
C8H7FN2
Molecular Weight:
150.1530
MDL Number:
MFCD00236207
IUPAC Name:
2-amino-2-(4-fluorophenyl)acetonitrile
InChI:
InChI=1S/C8H7FN2/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,8H,11H2
InChI Key:
HAEXHZOJAUQXNI-UHFFFAOYSA-N
SMILES:
NC(c1ccc(cc1)F)C#N
Properties
Complexity:
164  
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:
1  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties