CAS
916325-83-2 Purity
96%
916325-83-2 Purity
96%
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5-Bromo-1H-pyrazolo[3,4-b]pyridine-3-carbaldehyde
CAS
916326-37-9
Catalog Number
ACM916326379
Category
Other Products
Molecular Weight
226.030160 [g/mol]
Molecular Formula
C7H4BrN3O
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Specification
Synonyms
5-BROMO-1H-PYRAZOLO[3,4-B]PYRIDINE-3-CARBALDEHYDE, 916326-37-9, CTK5H0227, AKOS015966414, AG-H-76336, KB-244768
IUPAC Name
5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carbaldehyde
Canonical SMILES
C1=C(C=NC2=NNC(=C21)C=O)Br
InChI Key
WKKVMEWVAZFYPO-UHFFFAOYSA-N
Boiling Point
410.8ºC at 760 mmHg
Flash Point
202.2ºC
Density
1.945g/cm³
Exact Mass
224.95400
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of the compound?
The molecular formula of the compound is C7H4BrN3O.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carbaldehyde.
What is the molecular weight of the compound?
The molecular weight of the compound is 226.03 g/mol.
What is the CAS number of the compound?
The CAS number of the compound is 916326-37-9.
What is the InChIKey of the compound?
The InChIKey of the compound is WKKVMEWVAZFYPO-UHFFFAOYSA-N.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 1.3.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 3 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 1 rotatable bond count.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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CAS
916325-84-3 Purity
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916325-84-3 Purity
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CAS
916334-62-8 Purity
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916334-62-8 Purity
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