4(3H)-Quinazolinone, 3-methyl-6-nitro-
Basic information
- CAS
16064-13-4- Standard SMILES
Cn1cnc2ccc([N+](=O)[O-])cc2c1=O- InChIKey
VKKHWBJUIXIVFV-UHFFFAOYSA-N- Molecular formula
- C9H7N3O3
- Average molar mass
- 205.17 g/mol
- Monoisotopic mass
- 205.04874109
Names & identifiers
- Preferred name
- 4(3H)-Quinazolinone, 3-methyl-6-nitro-
- IUPAC
- 3-methyl-6-nitroquinazolin-4-one
- English name
- 4(3H)-Quinazolinone,3-methyl-6-nitro-
- Molecular formula
- C9H7N3O3
- Molecular weight
- 205.17
Names & synonyms
16064-13-44(3H)-Quinazolinone, 3-methyl-6-nitro-3-Methyl-6-nitro-4(3H)-quinazolinoneBRN 0202741NSC 735464-24-00-00394 (Beilstein Handbook Reference)DTXSID80166956Quinazolin-4(3H)-one, 3-methyl-6-nitro-RefChem:96103DTXCID9089447VKKHWBJUIXIVFV-UHFFFAOYSA-N3-methyl-6-nitroquinazolin-4(3H)-one
Show more names
4(3H)-Quinazolinone,3-methyl-6-nitro-3-methyl-6-nitro-quinazolin-4-one - [M83319]
3-methyl-6-nitro-quinazolin-4-one3-methyl-6-nitroquinazolin-4-oneMFCD01685912G2H9HL4VAJ3-methyl-6-nitro-3-hydroquinazolin-4-oneSCHEMBL191858103-methyl-6-nitro-3,4-dihydroquinazolin-4-oneHMS2591N15
Database identifiers
- CAS
16064-13-4- PubChem CID
- 63127
- DTXSID
DTXSID80166956- ChEMBL
CHEMBL1531009- UNII
- G2H9HL4VAJ
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 323
Physicochemical properties
- FDA UNII
- 2 H9HL4VAJ · G2H9HL4VAJ
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Compound notes
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