2-Methyl-1,3-benzoxazole-5-carbonitrile
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Basic information
- CAS
903556-80-9- Standard SMILES
Cc1nc2cc(C#N)ccc2o1- InChIKey
NAHBXMFWPHJPRC-UHFFFAOYSA-N- Molecular formula
- C9H6N2O
- Average molar mass
- 158.16 g/mol
- Monoisotopic mass
- 158.04801282
Names & identifiers
- Preferred name
- 2-Methyl-1,3-benzoxazole-5-carbonitrile
- IUPAC
- 2-methyl-1,3-benzoxazole-5-carbonitrile
- English name
- 2-Methyl-1,3-benzoxazole-5-carbonitrile
- Molecular formula
- C9H6N2O
- Molecular weight
- 158.16
Names & synonyms
2-Methyl-1,3-benzoxazole-5-carbonitrile903556-80-92-Methylbenzo[d]oxazole-5-carbonitrileMFCD110359412-methylbenzoxazole-5-carbonitrileSCHEMBL8256570SBB055999AKOS006309397TS-02100CS-0316917F0688132-Methyl-5-benzoxazolecarbonitrile
Show more names
2-Methyl-benzooxazole-5-carbonitrile5-Benzoxazolecarbonitrile, 2-methyl-
Database identifiers
- CAS
903556-80-9- PubChem CID
- 28875320
- Nikkaji
- J3.399.510E
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P321
- HS Code
- 2934999090 · 2934999090
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
- hs_code
- 2934999090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P321
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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