CAS
94205-62-6 Purity
96%
94205-62-6 Purity
96%
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2-(Chloromethyl)-6-methyl-4-phenyl-quinazoline 3-oxide
CAS
94206-84-5
Catalog Number
ACM94206845
Category
Other Products
Molecular Weight
284.74
Molecular Formula
C16H13ClN2O
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Specification
Synonyms
2-Chloromethyl-6-methyl-4-phenyl-quinazoline 3-oxide, ZINC00175523, AC1LEP35, MLS001207284, MolPort-001-917-171, AKOS000636749, BAS 00163884, SMR000505112, EU-0033914, ST50336580, 2-(chloromethyl)-6-methyl-4-phenylquinazolin-3-ol, 2-(Chloromethyl)-6-methyl-4-phenyl-quinazoline 3-Oxide, 2-(chloromethyl)-6-methyl-3-oxido-4-phenylquinazolin-3-ium, 94206-84-5
IUPAC Name
2-(chloromethyl)-6-methyl-3-oxido-4-phenylquinazolin-3-ium
Canonical SMILES
CC1=CC2=C(C=C1)N=C([N+](=C2C3=CC=CC=C3)[O-])CCl
InChI Key
WFFWEEOVGFHGGZ-UHFFFAOYSA-N
Appearance
Yellow Solid
Exact Mass
284.07200
H-Bond Acceptor
2
H-Bond Donor
0
What is the molecular formula of 2-(Chloromethyl)-6-methyl-4-phenyl-quinazoline 3-oxide?
The molecular formula is C16H13ClN2O.
When was 2-(Chloromethyl)-6-methyl-4-phenyl-quinazoline 3-oxide created and modified in PubChem?
It was created on July 8, 2005, and last modified on December 30, 2023.
What is the IUPAC name of 2-(Chloromethyl)-6-methyl-4-phenyl-quinazoline 3-oxide?
The IUPAC name is 2-(chloromethyl)-6-methyl-3-oxido-4-phenylquinazolin-3-ium.
What is the InChI key of 2-(Chloromethyl)-6-methyl-4-phenyl-quinazoline 3-oxide?
The InChI key is WFFWEEOVGFHGGZ-UHFFFAOYSA-N.
What is the molecular weight of 2-(Chloromethyl)-6-methyl-4-phenyl-quinazoline 3-oxide?
The molecular weight is 284.74 g/mol.
What is the Canonical SMILES representation of 2-(Chloromethyl)-6-methyl-4-phenyl-quinazoline 3-oxide?
The Canonical SMILES is CC1=CC2=C(C=C1)N=C([N+](=C2C3=CC=CC=C3)[O-])CCl.
How many hydrogen bond donor counts does 2-(Chloromethyl)-6-methyl-4-phenyl-quinazoline 3-oxide have?
It has 0 hydrogen bond donor counts.
What is the Topological Polar Surface Area of 2-(Chloromethyl)-6-methyl-4-phenyl-quinazoline 3-oxide?
The Topological Polar Surface Area is 38.4 Ų.
How many rotatable bond counts does 2-(Chloromethyl)-6-methyl-4-phenyl-quinazoline 3-oxide have?
It has 2 rotatable bond counts.
Is the compound canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
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