CAS
942070-06-6 Purity
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942070-06-6 Purity
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2-(2-Naphthyl)-1H-indole-3-carbaldehyde
CAS
94210-62-5
Catalog Number
ACM94210625
Category
Other Products
Molecular Weight
271.312620 [g/mol]
Molecular Formula
C19H13NO
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Specification
Synonyms
2-(2-Naphthyl)-1H-indole-3-carbaldehyde, 94210-62-5, ZINC00162710, AC1LDOKR, AC1Q6PRI, CTK5H5824, OR0669, AG-H-88367, 2-(Naphth-2-yl)indole-3-carboxaldehyde, 2-naphthalen-2-yl-1H-indole-3-carbaldehyde, FT-0608497, 2-(naphthalen-2-yl)-1H-indole-3-carbaldehyde
IUPAC Name
2-naphthalen-2-yl-1H-indole-3-carbaldehyde
SMILES
C1=CC=C2C=C(C=CC2=C1)C3=C(C4=CC=CC=C4N3)C=O
InChI Key
ZQOWXBVNBZTDHA-UHFFFAOYSA-N
Boiling Point
532.8ºC at 760mmHg
Melting Point
258-260ºC
Flash Point
274.8ºC
Density
1.274g/cm³
Exact Mass
271.10000
Hazard Statements
Xi: Irritant;
H-Bond Acceptor
1
H-Bond Donor
1
Safety Description
S24/25
What is the molecular formula of the compound with PubChem CID 623074?
The molecular formula is C19H13NO.
What is the molecular weight of the compound?
The molecular weight is 271.3 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 2-naphthalen-2-yl-1H-indole-3-carbaldehyde.
What is the InChI of the compound?
The InChI is InChI=1S/C19H13NO/c21-12-17-16-7-3-4-8-18(16)20-19(17)15-10-9-13-5-1-2-6-14(13)11-15/h1-12,20H.
What is the InChIKey of the compound?
The InChIKey is ZQOWXBVNBZTDHA-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is C1=CC=C2C=C(C=CC2=C1)C3=C(C4=CC=CC=C4N3)C=O.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 4.4.
How many hydrogen bond donor count does the compound have?
The compound has 1 hydrogen bond donor count.
How many rotatable bond count does the compound have?
The compound has 2 rotatable bond count.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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