CAS
933-52-8 Purity
96%
933-52-8 Purity
96%
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4-Chloro-3-ethoxybenzonitrile
CAS
933585-28-5
Catalog Number
ACM933585285
Category
Other Products
Molecular Weight
181.61892
Molecular Formula
C9H8ClNO
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Specification
Synonyms
4-CHLORO-3-ETHOXYBENZONITRILE
IUPAC Name
4-chloro-3-ethoxybenzonitrile
Canonical SMILES
CCOC1=C(C=CC(=C1)C#N)Cl
InChI Key
QHLPDFBWMVECAN-UHFFFAOYSA-N
Exact Mass
181.02900
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 4-Chloro-3-ethoxybenzonitrile?
The molecular formula of 4-Chloro-3-ethoxybenzonitrile is C9H8ClNO.
When was 4-Chloro-3-ethoxybenzonitrile created and modified on PubChem?
4-Chloro-3-ethoxybenzonitrile was created on March 29, 2010, and last modified on December 30, 2023.
What is the IUPAC Name of 4-Chloro-3-ethoxybenzonitrile?
The IUPAC Name of 4-Chloro-3-ethoxybenzonitrile is 4-chloro-3-ethoxybenzonitrile.
What is the InChI of 4-Chloro-3-ethoxybenzonitrile?
The InChI of 4-Chloro-3-ethoxybenzonitrile is InChI=1S/C9H8ClNO/c1-2-12-9-5-7(6-11)3-4-8(9)10/h3-5H,2H2,1H3.
What is the InChIKey of 4-Chloro-3-ethoxybenzonitrile?
The InChIKey of 4-Chloro-3-ethoxybenzonitrile is QHLPDFBWMVECAN-UHFFFAOYSA-N.
How many hydrogen bond acceptors does 4-Chloro-3-ethoxybenzonitrile have?
4-Chloro-3-ethoxybenzonitrile has 2 hydrogen bond acceptors.
What is the exact mass of 4-Chloro-3-ethoxybenzonitrile?
The exact mass of 4-Chloro-3-ethoxybenzonitrile is 181.0294416 g/mol.
How many rotatable bonds does 4-Chloro-3-ethoxybenzonitrile have?
4-Chloro-3-ethoxybenzonitrile has 2 rotatable bonds.
Is 4-Chloro-3-ethoxybenzonitrile a canonical compound?
Yes, 4-Chloro-3-ethoxybenzonitrile is a canonical compound according to PubChem.
What is the molecular weight of 4-Chloro-3-ethoxybenzonitrile?
The molecular weight of 4-Chloro-3-ethoxybenzonitrile is 181.62 g/mol.
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CAS
93354-59-7 Purity
96%
93354-59-7 Purity
96%
