CAS
98642-44-5 Purity
96%
98642-44-5 Purity
96%
![(3Ar,5z,11ar)-6-[(acetyloxy)methyl]-3a,7,8,10,11,11a-hexahydro-3,10-bis(methylene)cyclodeca[b]furan-2,9(3H,4H)-dione](https://resource.alfa-chemistry.com/structure/98644-44-1.gif)
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2-Chloro-4-ethoxynicotinonitrile
CAS
98645-45-5
Catalog Number
ACM98645455
Category
Other Products
Molecular Weight
182.60698
Molecular Formula
C8H7ClN2O
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Specification
Synonyms
2-CHLORO-4-ETHOXYNICOTINONITRILE
IUPAC Name
2-chloro-4-ethoxypyridine-3-carbonitrile
Canonical SMILES
CCOC1=C(C(=NC=C1)Cl)C#N
InChI Key
ORUMMVFOALCTCQ-UHFFFAOYSA-N
Boiling Point
327.536ºC at 760 mmHg
Flash Point
151.889ºC
Density
1.276g/cm³
Exact Mass
182.02500
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of 2-Chloro-4-ethoxynicotinonitrile?
The molecular formula of 2-Chloro-4-ethoxynicotinonitrile is C8H7ClN2O.
When was 2-Chloro-4-ethoxynicotinonitrile created and modified in PubChem?
2-Chloro-4-ethoxynicotinonitrile was created on 2006-10-26 and last modified on 2023-12-30 in PubChem.
What is the molecular weight of 2-Chloro-4-ethoxynicotinonitrile?
The molecular weight of 2-Chloro-4-ethoxynicotinonitrile is 182.61 g/mol.
What is the IUPAC name of 2-Chloro-4-ethoxynicotinonitrile?
The IUPAC name of 2-Chloro-4-ethoxynicotinonitrile is 2-chloro-4-ethoxypyridine-3-carbonitrile.
What is the InChI of 2-Chloro-4-ethoxynicotinonitrile?
The InChI of 2-Chloro-4-ethoxynicotinonitrile is InChI=1S/C8H7ClN2O/c1-2-12-7-3-4-11-8(9)6(7)5-10/h3-4H,2H2,1H3
What is the InChIKey of 2-Chloro-4-ethoxynicotinonitrile?
The InChIKey of 2-Chloro-4-ethoxynicotinonitrile is ORUMMVFOALCTCQ-UHFFFAOYSA-N.
What is the canonical SMILES representation of 2-Chloro-4-ethoxynicotinonitrile?
The canonical SMILES representation of 2-Chloro-4-ethoxynicotinonitrile is CCOC1=C(C(=NC=C1)Cl)C#N.
How many hydrogen bond acceptors are there in 2-Chloro-4-ethoxynicotinonitrile?
There are 3 hydrogen bond acceptors in 2-Chloro-4-ethoxynicotinonitrile.
What is the topological polar surface area of 2-Chloro-4-ethoxynicotinonitrile?
The topological polar surface area of 2-Chloro-4-ethoxynicotinonitrile is 45.9 Ų.
Is 2-Chloro-4-ethoxynicotinonitrile a covalently-bonded unit?
Yes, 2-Chloro-4-ethoxynicotinonitrile is a covalently-bonded unit.
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