CAS
905560-38-5 Purity
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905560-38-5 Purity
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3-Chloro-5-methoxyisonicotinaldehyde
CAS
905563-83-9
Catalog Number
ACM905563839
Category
Other Products
Molecular Weight
171.581040 [g/mol]
Molecular Formula
C7H6ClNO2
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Specification
Synonyms
3-CHLORO-5-METHOXYISONICOTINALDEHYDE;3-CHLORO-5-METHOXYPYRIDINE-4-CARBOXALDEHYDE
IUPAC Name
3-chloro-5-methoxypyridine-4-carbaldehyde
Canonical SMILES
COC1=CN=CC(=C1C=O)Cl
InChI Key
SDUCMQMOWRBUSX-UHFFFAOYSA-N
Exact Mass
171.00900
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of 3-Chloro-5-methoxyisonicotinaldehyde?
The molecular formula of 3-Chloro-5-methoxyisonicotinaldehyde is C7H6ClNO2.
When was 3-Chloro-5-methoxyisonicotinaldehyde created in PubChem?
3-Chloro-5-methoxyisonicotinaldehyde was created in PubChem on December 5, 2007.
What is the molecular weight of 3-Chloro-5-methoxyisonicotinaldehyde?
The molecular weight of 3-Chloro-5-methoxyisonicotinaldehyde is 171.58 g/mol.
How many hydrogen bond donor counts does 3-Chloro-5-methoxyisonicotinaldehyde have?
3-Chloro-5-methoxyisonicotinaldehyde has 0 hydrogen bond donor counts.
What is the topological polar surface area of 3-Chloro-5-methoxyisonicotinaldehyde?
The topological polar surface area of 3-Chloro-5-methoxyisonicotinaldehyde is 39.2 Ų.
Is 3-Chloro-5-methoxyisonicotinaldehyde a canonicalized compound in PubChem?
Yes, 3-Chloro-5-methoxyisonicotinaldehyde is a canonicalized compound in PubChem.
What is the InChIKey of 3-Chloro-5-methoxyisonicotinaldehyde?
The InChIKey of 3-Chloro-5-methoxyisonicotinaldehyde is SDUCMQMOWRBUSX-UHFFFAOYSA-N.
What is the canonical SMILES representation of 3-Chloro-5-methoxyisonicotinaldehyde?
The canonical SMILES representation of 3-Chloro-5-methoxyisonicotinaldehyde is COC1=CN=CC(=C1C=O)Cl.
How many rotatable bond counts does 3-Chloro-5-methoxyisonicotinaldehyde have?
3-Chloro-5-methoxyisonicotinaldehyde has 2 rotatable bond counts.
What is the formal charge of 3-Chloro-5-methoxyisonicotinaldehyde?
The formal charge of 3-Chloro-5-methoxyisonicotinaldehyde is 0.
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