CAS
908126-54-5 Purity
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908126-54-5 Purity
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1-(2-Chlorobenzyl)-1H-indole-3-carbaldehyde
CAS
90815-00-2
Catalog Number
ACM90815002
Category
Other Products
Molecular Weight
269.73
Molecular Formula
C16H12ClNO
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Specification
Synonyms
1-(2-CHLORO-BENZYL)-1H-INDOLE-3-CARBALDEHYDE;AKOS B014318;ART-CHEM-BB B014318;ASISCHEM N48918;CHEMBRDG-BB 5844476
What is the molecular formula of the compound?
The molecular formula of the compound is C16H12ClNO.
What is the molecular weight of the compound?
The molecular weight of the compound is 269.72 g/mol.
What is the IUPAC Name of the compound?
The IUPAC Name of the compound is 1-[(2-chlorophenyl)methyl]indole-3-carbaldehyde.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C16H12ClNO/c17-15-7-3-1-5-12(15)9-18-10-13(11-19)14-6-2-4-8-16(14)18/h1-8,10-11H,9H2.
What is the InChIKey of the compound?
The InChIKey of the compound is QMPDMKKPNRPZFV-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1=CC=C(C(=C1)CN2C=C(C3=CC=CC=C32)C=O)Cl.
What is the CAS number of the compound?
The CAS number of the compound is 90815-00-2.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 3.7.
How many hydrogen bond donor count does the compound have?
The compound has 0 hydrogen bond donor count.
How many rotatable bond count does the compound have?
The compound has 3 rotatable bond count.
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908128-94-9 Purity
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