| CAS Number | 63212-32-8 |
| Catalog Number | AG00ENUL(AGN-PC-0LCYC4) |
| Chemical Name | 1-Ethyl-2-isocyano-benzene |
| IUPAC Name | 1-ethyl-2-isocyanobenzene |
| InChI | InChI=1S/C9H9N/c1-3-8-6-4-5-7-9(8)10-2/h4-7H,3H2,1H3 |
| InChI Key | URRLGKSRAQOOIV-UHFFFAOYSA-N |
| MDL Number | MFCD02664611 |
| Molecular Formula | C9H9N |
| Molecular Weight | 131.1745 |
| SMILES | CCC1=C([N+]#[C-])C=CC=C1 |
| Synonyms | 1-ethyl-2-isocyanobenzene,
1-ethyl-2-isocyano-benzene,
63212-32-8,
Benzene, 1-ethyl-2-isocyano- (9CI),
AC1NCYZV,
2-ethylphenyl isocyanide,
SCHEMBL2616314,
CTK2F1871,
DTXSID50404079,
ISN-0076,
ZX-BK001871,
BBL021326,
FCH846283,
MFCD02664611,
STK894035,
ZINC82208558,
AKOS005144170,
H8350,
CID4541704,
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| Complexity | 142 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| 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 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number