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2969-63-3 | 9H-Fluoren-9-one, 2-amino-4,7-difluoro-
CAS No: 2969-63-3 Catalog No: AG002Z4C MDL No:
Product Description
Catalog Number:
AG002Z4C
Chemical Name:
9H-Fluoren-9-one, 2-amino-4,7-difluoro-
CAS Number:
2969-63-3
Molecular Formula:
C13H7F2NO
Molecular Weight:
231.1976
IUPAC Name:
2-amino-4,7-difluorofluoren-9-one
InChI:
InChI=1S/C13H7F2NO/c14-6-1-2-8-9(3-6)13(17)10-4-7(16)5-11(15)12(8)10/h1-5H,16H2
InChI Key:
QIMSHXKTXIKWOF-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)C(=O)c1c2c(F)cc(c1)N
NSC Number:
100834
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.05g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.202g/mol
Monoisotopic Mass:
231.05g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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