CAS
957828-58-9 Purity
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957828-58-9 Purity
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6-Chlorochrysene
CAS
95791-46-1
Catalog Number
ACM95791461
Category
Other Products
Molecular Weight
262.733 g/mol
Molecular Formula
C18H11Cl
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Specification
Synonyms
6-Chlorochrysene, CCRIS 5544, CHRYSENE, 6-CHLORO-, BRN 3295116, 95791-46-1, AC1L1M1Y, LS-53566, 3-05-00-02382 (Beilstein Handbook Reference)
IUPAC Name
6-chlorochrysene
Canonical SMILES
C1=CC=C2C(=C1)C=CC3=C2C=C(C4=CC=CC=C34)Cl
InChI Key
LVKLJLYFIFXBKM-UHFFFAOYSA-N
Exact Mass
262.05500
H-Bond Acceptor
0
H-Bond Donor
0
What is the IUPAC name of the compound?
The IUPAC name of the compound is 6-chlorochrysene.
What is the molecular formula of the compound?
The molecular formula of the compound is C18H11Cl.
What is the molecular weight of the compound?
The molecular weight of the compound is 262.7 g/mol.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C18H11Cl/c19-18-11-17-13-6-2-1-5-12(13)9-10-15(17)14-7-3-4-8-16(14)18/h1-11H.
What is the InChIKey of the compound?
The InChIKey of the compound is LVKLJLYFIFXBKM-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1=CC=C2C(=C1)C=CC3=C2C=C(C4=CC=CC=C34)Cl.
What is the CAS number of the compound?
The CAS number of the compound is 95791-46-1.
What is the XLogP3 value of the compound?
The XLogP3 value of the compound is 6.3.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor counts.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 0-2.
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