2-(furan-2-yl)-4H-3,1-benzoxazin-4-one
Basic information
- CAS
20492-07-3- Standard SMILES
O=c1oc(-c2ccco2)nc2ccccc12- InChIKey
UUKJKGJWLSRNNK-UHFFFAOYSA-N- Molecular formula
- C12H7NO3
- Average molar mass
- 213.19 g/mol
- Monoisotopic mass
- 213.04259309
Overview
See also: 2-(2-Furyl)-3,1-benzoxazin-4(4H)-one (annotation moved to).
Names & identifiers
- Preferred name
- 2-(furan-2-yl)-4H-3,1-benzoxazin-4-one
- IUPAC
- 2-(furan-2-yl)-3,1-benzoxazin-4-one
- English name
- 2-(2-Furyl)-3,1-benzoxazin-4(4H)-one
- Molecular formula
- C12H7NO3
- Molecular weight
- 213.19
Names & synonyms
20492-07-32-(furan-2-yl)-4H-3,1-benzoxazin-4-one2-(Furan-2-yl)-4H-benzo[d][1,3]oxazin-4-one2-(2-furyl)-4H-3,1-benzoxazin-4-one2-(furan-2-yl)-3,1-benzoxazin-4-oneCHEMBL244502-Furan-2-yl-benzo[d][1,3]oxazin-4-oneCBMicro_001262Oprea1_140771Oprea1_207951MLS000108298cid_296003
Show more names
2-(2-Furyl)-3,1-benzoxazin-4(4H)-one4H-3,1-Benzoxazin-4-one, 2-(2-furanyl)-
SCHEMBL5921477DTXSID30304427UUKJKGJWLSRNNK-UHFFFAOYSA-NHMS1672N05HMS2159J08HMS3315M22SMSF0010675BDBM50077014
Database identifiers
- CAS
20492-07-3- PubChem CID
- 296003
- DTXSID
DTXSID30304427- ChEMBL
CHEMBL24450- Nikkaji
- J272.799D
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 326
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H302
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
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
- H319-H302
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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