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Structure

4-(Diethylamino)-2-fluorobenzaldehyde 1-naphthylphenylhydrazone

CAS
94089-09-5
Catalog Number
ACM94089095
Category
Other Products
Molecular Weight
413.529723 [g/mol]
Molecular Formula
C27H26FN3

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Specification

Synonyms
EINECS 302-111-2, 4-(Diethylamino)-2-fluorobenzaldehyde 1-naphthylphenylhydrazone, 94089-09-5
IUPAC Name
N,N-diethyl-3-fluoro-4-[(E)-[(1-naphthalen-1-ylcyclohexa-2,4-dien-1-yl)hydrazinylidene]methyl]aniline
Canonical SMILES
CCN(CC)C1=CC(=C(C=C1)C=NN(C2=CC=CC=C2)C3=CC=CC4=CC=CC=C43)F
InChI Key
OTZXBBKEVOSTAL-ZTKZIYFRSA-N
EC Number
302-111-2
H-Bond Acceptor
4
H-Bond Donor
1
What is the molecular formula of 4-(Diethylamino)-2-fluorobenzaldehyde 1-naphthylphenylhydrazone?

The molecular formula is C27H28FN3.

When was the compound created and last modified?

The compound was created on August 20, 2009, and last modified on December 30, 2023.

What is the IUPAC name of 4-(Diethylamino)-2-fluorobenzaldehyde 1-naphthylphenylhydrazone?

The IUPAC name is N,N-diethyl-3-fluoro-4-[(E)-[(1-naphthalen-1-ylcyclohexa-2,4-dien-1-yl)hydrazinylidene]methyl]aniline.

What is the Canonical SMILES representation of the compound?

The Canonical SMILES representation is CCN(CC)C1=CC(=C(C=C1)C=NNC2(CC=CC=C2)C3=CC=CC4=CC=CC=C43)F.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

What is the XLogP3-AA value of 4-(Diethylamino)-2-fluorobenzaldehyde 1-naphthylphenylhydrazone?

The XLogP3-AA value is 7.2.

What is the exact molecular weight of the compound?

The exact molecular weight is 413.5 g/mol.

How many rotatable bond counts does the compound have?

The compound has 7 rotatable bond counts.

What is the topological polar surface area of 4-(Diethylamino)-2-fluorobenzaldehyde 1-naphthylphenylhydrazone?

The topological polar surface area is 27.6 ?².

Is the compound canonicalized?

Yes, the compound is canonicalized according to PubChem.

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