CAS
98826-81-4 Purity
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98826-81-4 Purity
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![Methanaminium,N,N,N-trimethyl-,salt with[[5-(2,2-dicyanoethenyl)-2H-pyran-3(6H)-ylidene]methyl]propanedinitrile(1:1)](https://resource.alfa-chemistry.com/structure/98826-83-6.gif)
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8-Chloro-2,4-dihydro-1-oxo-1,2,4-triazolo[3,4-c][1,4]benzoxazine
CAS
98827-46-4
Catalog Number
ACM98827464
Category
Other Products
Molecular Weight
223.615840 [g/mol]
Molecular Formula
C9H6ClN3O2
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Specification
Synonyms
CTK3I6268, AG-I-00434, 8-Chloro-2,4-dihydro-1-oxo-1,2,4-triazolo[3,4-c][1,4]benzoxazine, 98827-46-4
IUPAC Name
8-chloro-2,4-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-1-one
Canonical SMILES
C1C2=NNC(=O)N2C3=C(O1)C=CC(=C3)Cl
InChI Key
DZZMCVDRSUOUQK-UHFFFAOYSA-N
Exact Mass
223.01500
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of 8-Chloro-2,4-dihydro-1-oxo-1,2,4-triazolo[3,4-c][1,4]benzoxazine?
The molecular formula is C9H6ClN3O2.
When was 8-Chloro-2,4-dihydro-1-oxo-1,2,4-triazolo[3,4-c][1,4]benzoxazine created?
It was created on February 8, 2007.
What is the molecular weight of 8-Chloro-2,4-dihydro-1-oxo-1,2,4-triazolo[3,4-c][1,4]benzoxazine?
The molecular weight is 223.61 g/mol.
What is the IUPAC name of 8-Chloro-2,4-dihydro-1-oxo-1,2,4-triazolo[3,4-c][1,4]benzoxazine?
The IUPAC name is 8-chloro-2,4-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazin-1-one.
What is the InChIKey of 8-Chloro-2,4-dihydro-1-oxo-1,2,4-triazolo[3,4-c][1,4]benzoxazine?
The InChIKey is DZZMCVDRSUOUQK-UHFFFAOYSA-N.
How many hydrogen bond donor counts are there in 8-Chloro-2,4-dihydro-1-oxo-1,2,4-triazolo[3,4-c][1,4]benzoxazine?
There is 1 hydrogen bond donor count.
What is the XLogP3-AA value of 8-Chloro-2,4-dihydro-1-oxo-1,2,4-triazolo[3,4-c][1,4]benzoxazine?
The XLogP3-AA value is 1.3.
What is the topological polar surface area of 8-Chloro-2,4-dihydro-1-oxo-1,2,4-triazolo[3,4-c][1,4]benzoxazine?
The topological polar surface area is 53.9 Ǻ².
How many rotatable bond counts are there in 8-Chloro-2,4-dihydro-1-oxo-1,2,4-triazolo[3,4-c][1,4]benzoxazine?
There are 0 rotatable bond counts.
Is 8-Chloro-2,4-dihydro-1-oxo-1,2,4-triazolo[3,4-c][1,4]benzoxazine a canonicalized compound?
Yes, it is a canonicalized compound.
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