94497-53-7 Purity
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The PubChem CID of 12-Chloromethylbenzo(a)pyrene is 56769.
The molecular formula of 12-Chloromethylbenzo(a)pyrene is C21H13Cl.
The molecular weight of 12-Chloromethylbenzo(a)pyrene is 300.8 g/mol.
12-Chloromethylbenzo(a)pyrene was created on August 8, 2005.
12-Chloromethylbenzo(a)pyrene was last modified on December 30, 2023.
The IUPAC name of 12-Chloromethylbenzo(a)pyrene is 12-(chloromethyl)benzo[a]pyrene.
The InChI of 12-Chloromethylbenzo(a)pyrene is InChI=1S/C21H13Cl/c22-12-16-11-19-17-6-2-1-4-14(17)10-15-9-8-13-5-3-7-18(16)20(13)21(15)19/h1-11H,12H2.
The InChIKey of 12-Chloromethylbenzo(a)pyrene is NSEJACQEDMUEIJ-UHFFFAOYSA-N.
The canonical SMILES of 12-Chloromethylbenzo(a)pyrene is C1=CC=C2C(=C1)C=C3C=CC4=C5C3=C2C=C(C5=CC=C4)CCl.
The CAS number of 12-Chloromethylbenzo(a)pyrene is 94500-44-4.