(3-Amino-1-benzofuran-2-YL)(4-methoxyphenyl)methanone
Basic information
- CAS
223788-34-9- Standard SMILES
COc1ccc(C(=O)c2oc3ccccc3c2N)cc1- InChIKey
BLZJBFVSORKWST-UHFFFAOYSA-N- Molecular formula
- C16H13NO3
- Average molar mass
- 267.28 g/mol
- Monoisotopic mass
- 267.08954328
Names & identifiers
- Preferred name
- (3-Amino-1-benzofuran-2-YL)(4-methoxyphenyl)methanone
- IUPAC
- (3-amino-1-benzofuran-2-yl)-(4-methoxyphenyl)methanone
- English name
- (3-Amino-1-benzofuran-2-yl)(4-methoxyphenyl)methanone
- Molecular formula
- C16H13NO3
- Molecular weight
- 267.28
Names & synonyms
223788-34-9(3-amino-1-benzofuran-2-yl)(4-methoxyphenyl)methanoneRefChem:399809668-313-0(3-aminobenzofuran-2-yl)(4-methoxyphenyl)methanone2-(4-METHOXYBENZOYL)-1-BENZOFURAN-3-AMINE3-aminobenzo[d]furan-2-yl 4-methoxyphenyl ketoneMFCD03011621SMR000072146Oprea1_117666MLS000087955SCHEMBL8805009
Show more names
AKOS BBS-000012643-AMINO-2-(4-METHOXYLBENZOYL)BENZOFURAN(3-Amino-2-benzofuranyl)(4-methoxyphenyl)methanoneMethanone, (3-amino-2-benzofuranyl)(4-methoxyphenyl)-(3-AMINO-BENZOFURAN-2-YL)-(4-METHOXY-PHENYL)-METHANONE
(3-amino-1-benzofuran-2-yl)-(4-methoxyphenyl)methanoneCHEMBL1335083HMS1615G09HMS2403L05SBB038935STK793986AKOS000267063CCG-274491
Database identifiers
- CAS
223788-34-9- PubChem CID
- 693230
- ChEMBL
CHEMBL1335083- EC Number
- 668-313-0
- Nikkaji
- J1.056.485I
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 352
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · 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.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- 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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