| CAS Number | 104103-16-4 |
| Catalog Number | AG009SMR(AGN-PC-00NGSL) |
| Chemical Name | 2-(3-Methoxy-4-nitrophenyl)acetonitrile |
| IUPAC Name | 2-(3-methoxy-4-nitrophenyl)acetonitrile |
| InChI | InChI=1S/C9H8N2O3/c1-14-9-6-7(4-5-10)2-3-8(9)11(12)13/h2-3,6H,4H2,1H3 |
| InChI Key | IDPPRCQJYOEPEJ-UHFFFAOYSA-N |
| MDL Number | MFCD13192129 |
| Molecular Formula | C9H8N2O3 |
| Molecular Weight | 192.1714 |
| SMILES | COC1=C([N+]([O-])=O)C=CC(CC#N)=C1 |
| Synonyms | 2-(3-methoxy-4-nitrophenyl)acetonitrile,
104103-16-4,
2-(3-methoxy-4-nitro-phenyl)acetonitrile,
(3-methoxy-4-nitrophenyl)acetonitrile,
[3-Methoxy-4-nitrophenyl]acetonitrile,
SCHEMBL520839,
IDPPRCQJYOEPEJ-UHFFFAOYSA-N,
MFCD13192129,
ZINC34110190,
AKOS012988884,
MCULE-7831388029,
NE44051,
(3-methoxy-4-nitro-phenyl)-acetonitrile,
AS-47333,
Z1357774222,
|
| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.174g/mol |
| Monoisotopic Mass | 192.053g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number