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80517-22-2 | 2-Amino-4-fluorobenzonitrile
CAS No: 80517-22-2 Catalog No: AG003GF8 MDL No:MFCD09955451
Product Description
Catalog Number:
AG003GF8
Chemical Name:
2-Amino-4-fluorobenzonitrile
CAS Number:
80517-22-2
Molecular Formula:
C7H5FN2
Molecular Weight:
136.1264
MDL Number:
MFCD09955451
IUPAC Name:
2-amino-4-fluorobenzonitrile
InChI:
InChI=1S/C7H5FN2/c8-6-2-1-5(4-9)7(10)3-6/h1-3H,10H2
InChI Key:
CBXKVIFVKCNVGJ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1N)F
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
136.044g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
136.129g/mol
Monoisotopic Mass:
136.044g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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