Molecule structure of 5-Fluoro-7-chloromethyl-12-methylbenz(a)anthracene (CAS NO.67639-45-6):

IUPAC Name: 7-(Chloromethyl)-5-fluoro-12-methylbenzo[b]phenanthrene 
Molecular Weight: 308.776563 g/mol
Molecular Formula: C₂₀H₁₄ClF 
Density: 1.286 g/cm³ 
Boiling Point: 507.4 °C at 760 mmHg 
Flash Point: 262.2 °C
Index of Refraction: 1.715
Molar Refractivity: 94.36 cm³
Molar Volume: 239.9 cm³
Polarizability: 37.4×10^-24 cm³
Surface Tension: 50.2 dyne/cm 
Enthalpy of Vaporization: 74.8 kJ/mol
Vapour Pressure: 6.48E-10 mmHg at 25 °C
XLogP3-AA: 6.5
H-Bond Acceptor: 1
Rotatable Bond Count: 1
Exact Mass: 308.076806
MonoIsotopic Mass: 308.076806
Heavy Atom Count: 22
Complexity: 397
Canonical SMILES: CC1=C2C3=CC=CC=C3C(=CC2=C(C4=CC=CC=C14)CCl)F
InChI: InChI=1S/C20H14ClF/c1-12-13-6-2-3-7-14(13)18(11-21)17-10-19(22)15-8-4-5-9-16(15)20(12)17/h2-10H,11H2,1H3
InChIKey: XDWPSGQUCMCJCO-UHFFFAOYSA-N
Classification Code of 5-Fluoro-7-chloromethyl-12-methylbenz(a)anthracene (CAS NO.67639-45-6): Tumor data

Questionable carcinogen with experimental neoplastigenic data. When heated to decomposition it emits toxic fumes of Cl⁻ and F⁻.

 5-Fluoro-7-chloromethyl-12-methylbenz(a)anthracene (CAS NO.67639-45-6) is also named as 7-(Chloromethyl)-5-fluoro-12-methylbenz(a)anthracene ; BRN 2538135 ; Benz(a)anthracene, 7-(chloromethyl)-5-fluoro-12-methyl- .