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1260018-13-0 | 2H-1-Benzopyran-8-carbonitrile, 6-fluoro-3,4-dihydro-4-oxo-
CAS No: 1260018-13-0 Catalog No: AG000QQL MDL No:MFCD18208691
Product Description
Catalog Number:
AG000QQL
Chemical Name:
2H-1-Benzopyran-8-carbonitrile, 6-fluoro-3,4-dihydro-4-oxo-
CAS Number:
1260018-13-0
Molecular Formula:
C10H6FNO2
Molecular Weight:
191.1585
MDL Number:
MFCD18208691
IUPAC Name:
6-fluoro-4-oxo-2,3-dihydrochromene-8-carbonitrile
InChI:
InChI=1S/C10H6FNO2/c11-7-3-6(5-12)10-8(4-7)9(13)1-2-14-10/h3-4H,1-2H2
InChI Key:
ZAYRCDDEWIGISV-UHFFFAOYSA-N
SMILES:
N#Cc1cc(F)cc2c1OCCC2=O
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.038g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.161g/mol
Monoisotopic Mass:
191.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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