CAS
944887-78-9 Purity
96%
944887-78-9 Purity
96%
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2-Butyl-1,3,4-oxadiazole
CAS
944892-25-5
Catalog Number
ACM944892255
Category
Other Products
Molecular Weight
126.156400 [g/mol]
Molecular Formula
C6H10N2O
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Specification
Synonyms
2-butyl-1,3,4-oxadiazole, MolPort-003-726-546, CID10701836, TC-061806, 944892-25-5
IUPAC Name
2-butyl-1,3,4-oxadiazole
Canonical SMILES
CCCCC1=NN=CO1
InChI Key
XHCHMADWQJKRLU-UHFFFAOYSA-N
Boiling Point
184.455ºC at 760 mmHg
Flash Point
61.722ºC
Density
1.013g/cm³
Exact Mass
126.07900
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of 2-Butyl-1,3,4-oxadiazole?
The molecular formula of 2-Butyl-1,3,4-oxadiazole is C6H10N2O.
When was 2-Butyl-1,3,4-oxadiazole created and modified in PubChem?
2-Butyl-1,3,4-oxadiazole was created on 2006-10-25 and modified on 2023-12-30 in PubChem.
What is the IUPAC name of 2-Butyl-1,3,4-oxadiazole?
The IUPAC name of 2-Butyl-1,3,4-oxadiazole is 2-butyl-1,3,4-oxadiazole.
What is the InChI of 2-Butyl-1,3,4-oxadiazole?
The InChI of 2-Butyl-1,3,4-oxadiazole is InChI=1S/C6H10N2O/c1-2-3-4-6-8-7-5-9-6/h5H,2-4H2,1H3.
What is the InChIKey of 2-Butyl-1,3,4-oxadiazole?
The InChIKey of 2-Butyl-1,3,4-oxadiazole is XHCHMADWQJKRLU-UHFFFAOYSA-N.
How many hydrogen bond donor count does 2-Butyl-1,3,4-oxadiazole have?
2-Butyl-1,3,4-oxadiazole has 0 hydrogen bond donor count.
What is the topological polar surface area of 2-Butyl-1,3,4-oxadiazole?
The topological polar surface area of 2-Butyl-1,3,4-oxadiazole is 38.9 Ų.
How many rotatable bond count does 2-Butyl-1,3,4-oxadiazole have?
2-Butyl-1,3,4-oxadiazole has 3 rotatable bond count.
Is 2-Butyl-1,3,4-oxadiazole a canonicalized compound?
Yes, 2-Butyl-1,3,4-oxadiazole is a canonicalized compound.
What is the exact mass of 2-Butyl-1,3,4-oxadiazole?
The exact mass of 2-Butyl-1,3,4-oxadiazole is 126.079312947 g/mol.
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