CAS
99764-63-3 Purity
96%
99764-63-3 Purity
96%
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5-Nitro-4-hydroxyquinazoline
CAS
99768-67-9
Catalog Number
ACM99768679
Category
Other Products
Molecular Weight
191.143600 [g/mol]
Molecular Formula
C8H5N3O3
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- Product Description
- Case Study
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- Synthetic Use
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Specification
Synonyms
5-Nitroquinazolin-4-ol, 5-NITRO-4-HYDROXYQUINAZOLINE, 99768-67-9, CTK5I0672, AKOS015897195, AG-I-02449, AK-82851, AB1000205, KB-246705, I08-0482
IUPAC Name
5-nitro-1H-quinazolin-4-one
SMILES
C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N=CN2
InChI Key
AGOKBMXSQJZEKF-UHFFFAOYSA-N
Boiling Point
414.463ºC at 760 mmHg
Flash Point
204.46ºC
Density
1.589g/cm³
Exact Mass
191.03300
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of 5-Nitro-4-hydroxyquinazoline?
The molecular formula of 5-Nitro-4-hydroxyquinazoline is C8H5N3O3.
What is the molecular weight of 5-Nitro-4-hydroxyquinazoline?
The molecular weight of 5-Nitro-4-hydroxyquinazoline is 191.14 g/mol.
What are some synonyms for 5-Nitro-4-hydroxyquinazoline?
Some synonyms for 5-Nitro-4-hydroxyquinazoline include 5-Nitroquinazolin-4-ol and 5-nitro-3H-quinazolin-4-one.
When was 5-Nitro-4-hydroxyquinazoline first created and last modified?
5-Nitro-4-hydroxyquinazoline was first created on January 17, 2019, and last modified on December 30, 2023.
What is the IUPAC name of 5-Nitro-4-hydroxyquinazoline?
The IUPAC name of 5-Nitro-4-hydroxyquinazoline is 5-nitro-3H-quinazolin-4-one.
What is the InChIKey of 5-Nitro-4-hydroxyquinazoline?
The InChIKey of 5-Nitro-4-hydroxyquinazoline is AGOKBMXSQJZEKF-UHFFFAOYSA-N.
What is the Canonical SMILES representation of 5-Nitro-4-hydroxyquinazoline?
The Canonical SMILES representation of 5-Nitro-4-hydroxyquinazoline is C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)NC=N2.
How many hydrogen bond donor counts does 5-Nitro-4-hydroxyquinazoline have?
5-Nitro-4-hydroxyquinazoline has 1 hydrogen bond donor count.
What is the topological polar surface area of 5-Nitro-4-hydroxyquinazoline?
The topological polar surface area of 5-Nitro-4-hydroxyquinazoline is 87.3 Ų.
Is 5-Nitro-4-hydroxyquinazoline a canonicalized compound?
Yes, 5-Nitro-4-hydroxyquinazoline is a canonicalized compound according to PubChem.
Downstream Synthesis Route 1
- 99768-67-9
- 135106-40-0
Reference: [1]Journal of Organic Chemistry,1952,vol. 17,p. 149,153
[2]Journal of the American Chemical Society,1952,vol. 74,p. 1863
[3]Bioorganic and Medicinal Chemistry Letters,2010,vol. 20,p. 3235 - 3239
Downstream Synthesis Route 2
- 99768-67-9
- 75224-28-1
Reference: [1]Journal of the American Chemical Society,1951,vol. 73,p. 1372
* For details of the synthesis route, please refer to the original source to ensure accuracy.
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