| CAS Number | 356533-74-9 |
| Catalog Number | AG00BYN4(AGN-PC-0KKL75) |
| Chemical Name | 4-Benzyloxyphenylisocyanide |
| IUPAC Name | 1-isocyano-4-phenylmethoxybenzene |
| InChI | InChI=1S/C14H11NO/c1-15-13-7-9-14(10-8-13)16-11-12-5-3-2-4-6-12/h2-10H,11H2 |
| InChI Key | MOIWVJYGBWLIEW-UHFFFAOYSA-N |
| MDL Number | MFCD02664593 |
| Molecular Formula | C14H11NO |
| Molecular Weight | 209.2432 |
| SMILES | [C-]#[N+]C1=CC=C(OCC2=CC=CC=C2)C=C1 |
| Synonyms | 4-Benzyloxyphenylisocyanide,
356533-74-9,
1-(benzyloxy)-4-isocyanobenzene,
AC1MBU1X,
4-benzyloxyisocyanobenzene,
4-(Benzyloxy)phenyl isocyanide,
SCHEMBL12168691,
CTK5I0930,
1-isocyano-4-phenylmethoxybenzene,
ISN-0054,
ZX-BK002738,
BBL021895,
MFCD02664593,
STK894612,
ZINC95698375,
AKOS005144158,
FCH2725517,
ACM356533749,
K-8053,
1-isocyano-4-phenylmethoxy-benzene,
CID2756647,
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| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.084g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.248g/mol |
| Monoisotopic Mass | 209.084g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 13.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number