Cas no 67639-45-6 (7-(chloromethyl)-5-fluoro-12-methyltetraphene)
67639-45-6 structure
Product Name:7-(chloromethyl)-5-fluoro-12-methyltetraphene
CAS No:67639-45-6
MF:C20H14ClF
MW:308.776567935944
CID:1720863
PubChem ID:49958
Update Time:2025-04-21
7-(chloromethyl)-5-fluoro-12-methyltetraphene Chemical and Physical Properties
Names and Identifiers
-
- 7-(chloromethyl)-5-fluoro-12-methyltetraphene
- 7-(chloromethyl)-5-fluoro-12-methylbenzo[a]anthracene
- DTXSID00217954
- BRN 2538135
- 7-(Chloromethyl)-5-fluoro-12-methylbenz(a)anthracene
- 5-Fluoro-7-chloromethyl-12-methylbenz(a)anthracene
- BENZ(a)ANTHRACENE, 7-(CHLOROMETHYL)-5-FLUORO-12-METHYL-
- 67639-45-6
-
- 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
- InChI Key： XDWPSGQUCMCJCO-UHFFFAOYSA-N
- SMILES： ClCC1C2C=CC=CC=2C(C)=C2C3C=CC=CC=3C(=CC2=1)F
Computed Properties
- Exact Mass: 308.07692
- Monoisotopic Mass: 308.0768063g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 22
- Rotatable Bond Count: 1
- Complexity: 397
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 6.5
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0
7-(chloromethyl)-5-fluoro-12-methyltetraphene Related Literature
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
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S. Amaresh,K. Karthikeyan,K. J. Kim,Y. S. Lee RSC Adv., 2014,4, 23107-23115
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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