CAS
908127-11-7 Purity
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908127-11-7 Purity
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1-(3-Chlorobenzyl)-1H-indole-3-carbaldehyde
CAS
90815-01-3
Catalog Number
ACM90815013
Category
Other Products
Molecular Weight
269.725580 [g/mol]
Molecular Formula
C16H12ClNO
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Specification
Synonyms
Ambcb7696582, MolPort-000-889-864, ZINC00264056, ALBB-001447, CID775540, NSC741908, STK347801, 1-(3-chlorobenzyl)-1H-indole-3-carbaldehyde, 1H-Indole-3-carboxaldehyde, 1-[(3-chlorophenyl)methyl]-, 90815-01-3
IUPAC Name
1-[(3-chlorophenyl)methyl]indole-3-carbaldehyde
InChI Key
NANCGWIQWABHDC-UHFFFAOYSA-N
Boiling Point
465.5ºC at 760 mmHg
Flash Point
235.3ºC
Density
1.21g/cm³
Exact Mass
269.06100
H-Bond Acceptor
1
H-Bond Donor
0
What is the molecular formula of 1-(3-Chlorobenzyl)-1H-indole-3-carbaldehyde?
The molecular formula is C16H12ClNO.
What is the molecular weight of 1-(3-Chlorobenzyl)-1H-indole-3-carbaldehyde?
The molecular weight is 269.72 g/mol.
What is the IUPAC name of 1-(3-Chlorobenzyl)-1H-indole-3-carbaldehyde?
The IUPAC name is 1-[(3-chlorophenyl)methyl]indole-3-carbaldehyde.
What is the InChI of 1-(3-Chlorobenzyl)-1H-indole-3-carbaldehyde?
The InChI is InChI=1S/C16H12ClNO/c17-14-5-3-4-12(8-14)9-18-10-13(11-19)15-6-1-2-7-16(15)18/h1-8,10-11H,9H2.
What is the InChIKey of 1-(3-Chlorobenzyl)-1H-indole-3-carbaldehyde?
The InChIKey is NANCGWIQWABHDC-UHFFFAOYSA-N.
What is the canonical SMILES of 1-(3-Chlorobenzyl)-1H-indole-3-carbaldehyde?
The canonical SMILES is C1=CC=C2C(=C1)C(=CN2CC3=CC(=CC=C3)Cl)C=O.
What is the CAS number of 1-(3-Chlorobenzyl)-1H-indole-3-carbaldehyde?
The CAS number is 90815-01-3.
What is the ChEMBL ID of 1-(3-Chlorobenzyl)-1H-indole-3-carbaldehyde?
The ChEMBL ID is CHEMBL1775049.
What is the Hydrogen Bond Donor Count of 1-(3-Chlorobenzyl)-1H-indole-3-carbaldehyde?
The Hydrogen Bond Donor Count is 0.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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