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71172-11-7 | Benz(a)anthracene, 9-fluoro-7,12-dimethyl-
CAS No: 71172-11-7 Catalog No: AG005KLY MDL No:
Product Description
Catalog Number:
AG005KLY
Chemical Name:
Benz(a)anthracene, 9-fluoro-7,12-dimethyl-
CAS Number:
71172-11-7
Molecular Formula:
C20H15F
Molecular Weight:
274.3315
IUPAC Name:
9-fluoro-7,12-dimethylbenzo[a]anthracene
InChI:
InChI=1S/C20H15F/c1-12-17-9-7-14-5-3-4-6-18(14)20(17)13(2)16-10-8-15(21)11-19(12)16/h3-11H,1-2H3
InChI Key:
IKSUWXCQOBJKGC-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)c(C)c1c(c2C)c2ccccc2cc1
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.116g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.338g/mol
Monoisotopic Mass:
274.116g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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