CAS
99299-73-7 Purity
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99299-73-7 Purity
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N-Heptadecyl-6-nitro-4H-1,3,2-benzodioxaphosphorin-2-amine 2-sulfide
CAS
99300-62-6
Catalog Number
ACM99300626
Category
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What is the molecular formula of the compound N-Heptadecyl-6-nitro-4H-1,3,2-benzodioxaphosphorin-2-amine 2-sulfide?
The molecular formula is C24H41N2O4PS.
What is the molecular weight of the compound?
The molecular weight is 484.6 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is N-heptadecyl-6-nitro-2-sulfanylidene-4H-1,3,2λ 5 -benzodioxaphosphinin-2-amine.
What is the InChI of the compound?
The InChI is InChI=1S/C24H41N2O4PS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-25-31(32)29-21-22-20-23(26(27)28)17-18-24(22)30-31/h17-18,20H,2-16,19,21H2,1H3,(H,25,32).
What is the InChIKey of the compound?
The InChIKey is VVNDZSIUFLGYKT-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES is CCCCCCCCCCCCCCCCCNP1(=S)OCC2=C(O1)C=CC(=C2)[N+](=O)[O-].
How many hydrogen bond donor counts are there in the compound?
There is 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts are there in the compound?
There are 6 hydrogen bond acceptor counts.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 10.5.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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