| CAS Number | 38713-61-0 |
| Catalog Number | AG00CLT5(AGN-PC-03G85M) |
| Chemical Name | 5-(Benzyloxy)-2-nitrobenzonitrile |
| IUPAC Name | 2-nitro-5-phenylmethoxybenzonitrile |
| InChI | InChI=1S/C14H10N2O3/c15-9-12-8-13(6-7-14(12)16(17)18)19-10-11-4-2-1-3-5-11/h1-8H,10H2 |
| InChI Key | YPJNGWDUMUYHTH-UHFFFAOYSA-N |
| MDL Number | MFCD17015696 |
| Molecular Formula | C14H10N2O3 |
| Molecular Weight | 254.2408 |
| SMILES | N#Cc1cc(OCc2ccccc2)ccc1[N+](=O)[O-] |
| Synonyms | 5-(benzyloxy)-2-nitrobenzonitrile,
38713-61-0,
BENZONITRILE, 2-NITRO-5-(PHENYLMETHOXY)-,
SCHEMBL1336543,
5-benzyloxy-2-nitrobenzonitrile,
CTK4I0367,
DTXSID90618512,
YPJNGWDUMUYHTH-UHFFFAOYSA-N,
ZINC95496056,
AKOS017548643,
CJ-22711,
DA-06249,
FT-0710724,
V5660,
C14H10N2O3,
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| Complexity | 351 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.245g/mol |
| Monoisotopic Mass | 254.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number