CAS
95046-23-4 Purity
96%
95046-23-4 Purity
96%
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3-Chloro-4-methylbenzaldehyde oxime
CAS
950482-79-8
Catalog Number
ACM950482798
Category
Other Products
Molecular Weight
169.608
Molecular Formula
C8H8ClNO
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Specification
Synonyms
3-Chloro-4-methylbenzaldehyde oxime, KB-88324, 950482-79-8
IUPAC Name
N-[(3-chloro-4-methylphenyl)methylidene]hydroxylamine
Canonical SMILES
CC1=C(C=C(C=C1)C=NO)Cl
InChI Key
RRTZECQXPJOCGM-UHFFFAOYSA-N
Exact Mass
169.02900
H-Bond Acceptor
2
H-Bond Donor
1
What is the molecular formula of 3-Chloro-4-methylbenzaldehyde oxime?
The molecular formula is C8H8ClNO.
What is the PubChem CID of 3-Chloro-4-methylbenzaldehyde oxime?
The PubChem CID is 56776473.
What is the computed IUPAC name of 3-Chloro-4-methylbenzaldehyde oxime?
The computed IUPAC name is (NE)-N-[(3-chloro-4-methylphenyl)methylidene]hydroxylamine.
What is the InChI of 3-Chloro-4-methylbenzaldehyde oxime?
The InChI is InChI=1S/C8H8ClNO/c1-6-2-3-7(5-10-11)4-8(6)9/h2-5,11H,1H3/b10-5+.
What is the InChIKey of 3-Chloro-4-methylbenzaldehyde oxime?
The InChIKey is RRTZECQXPJOCGM-BJMVGYQFSA-N.
What is the canonical SMILES of 3-Chloro-4-methylbenzaldehyde oxime?
The canonical SMILES is CC1=C(C=C(C=C1)C=NO)Cl.
What is the isomeric SMILES of 3-Chloro-4-methylbenzaldehyde oxime?
The isomeric SMILES is CC1=C(C=C(C=C1)/C=N/O)Cl.
What is the XLogP3 value of 3-Chloro-4-methylbenzaldehyde oxime?
The XLogP3 value is 3.3.
How many hydrogen bond donor counts does 3-Chloro-4-methylbenzaldehyde oxime have?
It has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does 3-Chloro-4-methylbenzaldehyde oxime have?
It has 2 hydrogen bond acceptor counts.
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CAS
95046-24-5 Purity
96%
95046-24-5 Purity
96%
CAS
95049-24-4 Purity
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95049-24-4 Purity
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