| CAS Number | 90921-35-0 |
| Catalog Number | AG00H4PQ |
| Chemical Name | Benzonitrile, 2-(1-Methylethoxy)- |
| IUPAC Name | 2-propan-2-yloxybenzonitrile |
| InChI | InChI=1S/C10H11NO/c1-8(2)12-10-6-4-3-5-9(10)7-11/h3-6,8H,1-2H3 |
| InChI Key | MSFGJJZPHGNGCY-UHFFFAOYSA-N |
| MDL Number | MFCD02257394 |
| Molecular Formula | C10H11NO |
| Molecular Weight | 161.2004 |
| SMILES | CC(C)OC1=CC=CC=C1C#N |
| Synonyms | 2-isopropoxybenzonitrile,
2-isopropoxy-benzonitrile,
90921-35-0,
2-(1-methylethoxy)benzonitrile,
SCHEMBL1871847,
CTK7C8808,
MSFGJJZPHGNGCY-UHFFFAOYSA-N,
ZINC5727369,
2-[(1-methylethyl)oxy]benzonitrile,
AKOS000178307,
DB-078840,
FT-0760053,
Z-8759,
2-propan-2-yloxybenzonitrile,
CID11457850,
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| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 161.204g/mol |
| Monoisotopic Mass | 161.084g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number