CAS
959240-56-3 Purity
96%
959240-56-3 Purity
96%
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5-Bromo-2-(4H-1,2,4-triazol-4-yl)pyridine
CAS
959240-99-4
Catalog Number
ACM959240994
Category
Other Products
Molecular Weight
225.045400 [g/mol]
Molecular Formula
C7H5BrN4
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Specification
Synonyms
5-BROMO-2-(4H-1,2,4-TRIAZOL-4-YL)PYRIDINE, 959240-99-4, Ambcb4028014, CTK5H8410, MolPort-008-424-761, ZINC19092684, AKOS006339870, AG-H-94448
IUPAC Name
5-bromo-2-(1,2,4-triazol-4-yl)pyridine
Canonical SMILES
C1=CC(=NC=C1Br)N2C=NN=C2
InChI Key
NHFAKAACQQCDTP-UHFFFAOYSA-N
Boiling Point
357ºC at 760 mmHg
Flash Point
169.7ºC
Density
1.79g/cm³
Exact Mass
223.97000
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of the compound with PubChem CID 28064851?
The molecular formula is C7H5BrN4.
What is the molecular weight of the compound with PubChem CID 28064851?
The molecular weight is 225.05 g/mol.
What is the IUPAC name of the compound with PubChem CID 28064851?
The IUPAC name is 5-bromo-2-(1,2,4-triazol-4-yl)pyridine.
What is the InChIKey of the compound with PubChem CID 28064851?
The InChIKey is NHFAKAACQQCDTP-UHFFFAOYSA-N.
How many hydrogen bond acceptors does the compound with PubChem CID 28064851 have?
It has 3 hydrogen bond acceptors.
What is the topological polar surface area of the compound with PubChem CID 28064851?
The topological polar surface area is 43.6 Ų.
Is the compound with PubChem CID 28064851 canonically represented?
Yes, the compound is canonicalized.
What is the XLogP3-AA value of the compound with PubChem CID 28064851?
The XLogP3-AA value is 1.
How many rotatable bonds does the compound with PubChem CID 28064851 have?
It has 1 rotatable bond.
What is the exact mass of the compound with PubChem CID 28064851?
The exact mass is 223.96976 g/mol.
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