CAS
96497-86-8 Purity
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96497-86-8 Purity
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Ethyl 4-chloro-3-formyl-5,6-dihydro-2H-pyridine-1-carboxylate
CAS
96507-72-1
Catalog Number
ACM96507721
Category
Other Products
Molecular Weight
217.64948
Molecular Formula
C9H12ClNO3
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Specification
Synonyms
EINECS 306-150-6, CID3024580, Ethyl 4-chloro-3-formyl-5,6-dihydro-2H-pyridine-1-carboxylate, 96507-72-1
IUPAC Name
ethyl 4-chloro-5-formyl-3,6-dihydro-2H-pyridine-1-carboxylate
Canonical SMILES
CCOC(=O)N1CCC(=C(C1)C=O)Cl
InChI Key
BMUCDCSKVFZPSS-UHFFFAOYSA-N
Boiling Point
318.8ºC at 760mmHg
Flash Point
146.6ºC
Density
1.27g/cm³
EC Number
306-150-6
Exact Mass
217.05100
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of Ethyl 4-chloro-3-formyl-5,6-dihydro-2H-pyridine-1-carboxylate?
The molecular formula is C9H12ClNO3.
When was Ethyl 4-chloro-3-formyl-5,6-dihydro-2H-pyridine-1-carboxylate created in PubChem?
It was created on 2005-08-08.
What is the IUPAC name of Ethyl 4-chloro-3-formyl-5,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name is ethyl 4-chloro-5-formyl-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the InChIKey of Ethyl 4-chloro-3-formyl-5,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is BMUCDCSKVFZPSS-UHFFFAOYSA-N.
What is the molecular weight of Ethyl 4-chloro-3-formyl-5,6-dihydro-2H-pyridine-1-carboxylate?
The molecular weight is 217.65 g/mol.
How many hydrogen bond donor counts does Ethyl 4-chloro-3-formyl-5,6-dihydro-2H-pyridine-1-carboxylate have?
It has 0 hydrogen bond donor counts.
What is the topological polar surface area of Ethyl 4-chloro-3-formyl-5,6-dihydro-2H-pyridine-1-carboxylate?
The topological polar surface area is 46.6 Ų.
How many rotatable bond counts does Ethyl 4-chloro-3-formyl-5,6-dihydro-2H-pyridine-1-carboxylate have?
It has 3 rotatable bond counts.
What is the exact mass of Ethyl 4-chloro-3-formyl-5,6-dihydro-2H-pyridine-1-carboxylate?
The exact mass is 217.0505709 g/mol.
How many defined atom stereocenter counts does Ethyl 4-chloro-3-formyl-5,6-dihydro-2H-pyridine-1-carboxylate have?
It has 0 defined atom stereocenter counts.
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CAS
96507-75-4 Purity
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96507-75-4 Purity
96%
