| CAS Number | 21872-32-2 |
| Catalog Number | AG003CFC(AGN-PC-0O7WRZ) |
| Chemical Name | (S)-()-α-Methylbenzyl isocyanide |
| IUPAC Name | [(1S)-1-isocyanoethyl]benzene |
| InChI | InChI=1S/C9H9N/c1-8(10-2)9-6-4-3-5-7-9/h3-8H,1H3/t8-/m0/s1 |
| InChI Key | KCCAPMXVCPVFEH-QMMMGPOBSA-N |
| MDL Number | MFCD02683482 |
| Molecular Formula | C9H9N |
| Molecular Weight | 131.1745 |
| SMILES | [N+](#[C-])[C@@H](C)C1=CC=CC=C1 |
| Synonyms | (S)-(-)-alpha-Methylbenzyl isocyanide,
21872-32-2,
SCHEMBL450918,
L-(-)-A-Methylbenzylisocyanide,
CTK8F2104,
[(S)-1-Phenylethyl] isocyanide,
DTXSID80450685,
KCCAPMXVCPVFEH-QMMMGPOBSA-N,
(s)-(-)-1-phenylethylisocyanide,
l-(-)-alpha-methylbenzylisocyanide,
GEO-03775,
MFCD02683482,
ZINC95713448,
(S)-(-)-|A-Methylbenzyl isocyanide,
AKOS015888872,
DB-066648,
FT-0773403,
J-014328,
I01-16720,
1-isocyanoethylbenzene,
CID10983286,
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| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 131.073g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 131.178g/mol |
| Monoisotopic Mass | 131.073g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 4.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number