| CAS Number | 61924-27-4 |
| Catalog Number | AG0169JI(AGN-PC-00LQ20) |
| Chemical Name | 1-(isocyanatomethyl)naphthalene |
| IUPAC Name | 1-(isocyanatomethyl)naphthalene |
| InChI | InChI=1S/C12H9NO/c14-9-13-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8H2 |
| InChI Key | UTYQUKHNHPEPDA-UHFFFAOYSA-N |
| MDL Number | MFCD11986936 |
| Molecular Formula | C12H9NO |
| Molecular Weight | 183.2060 |
| SMILES | O=C=NCC1=C2C(C=CC=C2)=CC=C1 |
| Synonyms | 1-(isocyanatomethyl)naphthalene,
61924-27-4,
Naphthalene, 1-(isocyanatomethyl)-,
naphthylmethyl isocyanate,
1-naphthylmethylisocyanate,
SCHEMBL1848951,
CTK2D0155,
DTXSID30532485,
UTYQUKHNHPEPDA-UHFFFAOYSA-N,
ZINC16837753,
AKOS012410765,
MCULE-1513490401,
L-2833,
F2160-0022,
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| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.21g/mol |
| Monoisotopic Mass | 183.068g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 29.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number