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87170-18-1 | 2,5-Cyclohexadiene-1,4-dione, 2-(4-fluorophenyl)-
CAS No: 87170-18-1 Catalog No: AG004KDO MDL No:
Product Description
Catalog Number:
AG004KDO
Chemical Name:
2,5-Cyclohexadiene-1,4-dione, 2-(4-fluorophenyl)-
CAS Number:
87170-18-1
Molecular Formula:
C12H7FO2
Molecular Weight:
202.1812
IUPAC Name:
2-(4-fluorophenyl)cyclohexa-2,5-diene-1,4-dione
InChI:
InChI=1S/C12H7FO2/c13-9-3-1-8(2-4-9)11-7-10(14)5-6-12(11)15/h1-7H
InChI Key:
POJNEPOPFVPIIX-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)C=C1c1ccc(cc1)F
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.043g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.184g/mol
Monoisotopic Mass:
202.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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