| CAS Number | 745783-83-9 |
| Catalog Number | AG00FFW9(AGN-PC-0U5LKQ) |
| Chemical Name | (S)-(-)-1-(4-Methoxyphenyl)ethyl isocyanate |
| IUPAC Name | 1-[(1S)-1-isocyanatoethyl]-4-methoxybenzene |
| InChI | InChI=1S/C10H11NO2/c1-8(11-7-12)9-3-5-10(13-2)6-4-9/h3-6,8H,1-2H3/t8-/m0/s1 |
| InChI Key | WTNKKJUXEYSETC-QMMMGPOBSA-N |
| MDL Number | MFCD05664085 |
| Molecular Formula | C10H11NO2 |
| Molecular Weight | 177.1998 |
| SMILES | N([C@H](C1C=CC(OC)=CC=1)C)=C=O |
| Synonyms | 745783-83-9,
(S)-(-)-1-(4-METHOXYPHENYL)ETHYL ISOCYANATE,
SCHEMBL959100,
CTK8F2088,
WTNKKJUXEYSETC-QMMMGPOBSA-N,
ZINC2548070,
MFCD05664085,
(S)-1-(4-methoxyphenyl)ethylisocyanate,
SC-48960,
(S)-(-)-1-(4-METHOXYPHENYL)ETHYLISOCYANATE,
(S)?-?(-?)?-?1-?(4-?Methoxyphenyl)?ethyl isocyanat,
(S)-(-)-1-(3-METHOXYPHENYL)ETHYL ISOCYANATE, 97%,
ZINC02548070,
CID7018272,
Benzene, 1-[(1S)-1-isocyanatoethyl]-4-methoxy- (9CI),
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.078979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.2g/mol |
| Monoisotopic Mass | 177.078979g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.7Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number