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1849279-50-0 | Benzonitrile, 4-amino-5-fluoro-2-methyl-
CAS No: 1849279-50-0 Catalog No: AG003AEP MDL No:
Product Description
Catalog Number:
AG003AEP
Chemical Name:
Benzonitrile, 4-amino-5-fluoro-2-methyl-
CAS Number:
1849279-50-0
Molecular Formula:
C8H7FN2
Molecular Weight:
150.1530
IUPAC Name:
4-amino-5-fluoro-2-methylbenzonitrile
InChI:
InChI=1S/C8H7FN2/c1-5-2-8(11)7(9)3-6(5)4-10/h2-3H,11H2,1H3
InChI Key:
SJAFTRGTHCGNPM-UHFFFAOYSA-N
SMILES:
N#Cc1cc(F)c(cc1C)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
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