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Home > Fluorides > 113387-53-4
113387-53-4 | 2H-1-Benzopyran-4-carbonitrile, 6-fluoro-3,4-dihydro-4-hydroxy-
CAS No: 113387-53-4 Catalog No: AG0008DQ MDL No:
Product Description
Catalog Number:
AG0008DQ
Chemical Name:
2H-1-Benzopyran-4-carbonitrile, 6-fluoro-3,4-dihydro-4-hydroxy-
CAS Number:
113387-53-4
Molecular Formula:
C10H8FNO2
Molecular Weight:
193.1744
IUPAC Name:
6-fluoro-4-hydroxy-2,3-dihydrochromene-4-carbonitrile
InChI:
InChI=1S/C10H8FNO2/c11-7-1-2-9-8(5-7)10(13,6-12)3-4-14-9/h1-2,5,13H,3-4H2
InChI Key:
SXNZSLSEDIKSBQ-UHFFFAOYSA-N
SMILES:
OC1(CCOc2c1cc(F)cc2)C#N
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.054g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.177g/mol
Monoisotopic Mass:
193.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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