| CAS Number | 623569-55-1 |
| Catalog Number | AG00IB0K(AGN-PC-0206RI) |
| Chemical Name | 3-cyano-N-ethylbenzamide |
| IUPAC Name | 3-cyano-N-ethylbenzamide |
| InChI | InChI=1S/C10H10N2O/c1-2-12-10(13)9-5-3-4-8(6-9)7-11/h3-6H,2H2,1H3,(H,12,13) |
| InChI Key | BPJJXDSASOLMCR-UHFFFAOYSA-N |
| MDL Number | MFCD00000182 |
| Molecular Formula | C10H10N2O |
| Molecular Weight | 174.1992 |
| SMILES | CCNC(C1=CC(C#N)=CC=C1)=O |
| Synonyms | 3-cyano-N-ethylbenzamide,
623569-55-1,
3-Cyano-N-ethyl-benzamide,
AC1Q31AN,
Benzamide, 3-cyano-N-ethyl-,
SCHEMBL6203164,
CTK6F1925,
BPJJXDSASOLMCR-UHFFFAOYSA-N,
ZINC19479051,
AKOS000179681,
MCULE-2601676591,
NE55543,
EN300-39902,
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| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.203g/mol |
| Monoisotopic Mass | 174.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 52.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number