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139678-03-8 | Azulene, 6-(4-fluorophenyl)-4,8-dimethyl-
CAS No: 139678-03-8 Catalog No: AG001BHT MDL No:
Product Description
Catalog Number:
AG001BHT
Chemical Name:
Azulene, 6-(4-fluorophenyl)-4,8-dimethyl-
CAS Number:
139678-03-8
Molecular Formula:
C18H15F
Molecular Weight:
250.3101
IUPAC Name:
6-(4-fluorophenyl)-4,8-dimethylazulene
InChI:
InChI=1S/C18H15F/c1-12-10-15(14-6-8-16(19)9-7-14)11-13(2)18-5-3-4-17(12)18/h3-11H,1-2H3
InChI Key:
YFPJJVSEJOAATH-UHFFFAOYSA-N
SMILES:
Cc1cc(cc(c2c1ccc2)C)c1ccc(cc1)F
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.116g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.316g/mol
Monoisotopic Mass:
250.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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