| CAS Number | 52951-09-4 |
| Catalog Number | AG00DLAY(AGN-PC-02K13W) |
| Chemical Name | Benzofuran-7-carbonitrile |
| IUPAC Name | 1-benzofuran-7-carbonitrile |
| InChI | InChI=1S/C9H5NO/c10-6-8-3-1-2-7-4-5-11-9(7)8/h1-5H |
| InChI Key | HAICRZPDDBKXPQ-UHFFFAOYSA-N |
| MDL Number | MFCD15143950 |
| Molecular Formula | C9H5NO |
| Molecular Weight | 143.1421 |
| SMILES | C(#N)c1c2c(cco2)ccc1 |
| Synonyms | benzofuran-7-carbonitrile,
52951-09-4,
1-benzofuran-7-carbonitrile,
7-Benzofurancarbonitrile,
SCHEMBL3203940,
MFCD15143950,
ZINC83267808,
AKOS022966233,
FCH1187064,
SB22956,
SY027225,
AX8271277,
MFCD15143950 (95%),
8-BROMO-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-2-YLAMINE,
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| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 143.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 143.145g/mol |
| Monoisotopic Mass | 143.037g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 36.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number