3-Cyano-N-ethylbenzamide - CAS 623569-55-1
Catalog: |
BB068956 |
Product Name: |
3-Cyano-N-ethylbenzamide |
CAS: |
623569-55-1 |
Synonyms: |
3-cyano-N-ethylbenzamide; 3-Cyano-N-ethyl-benzamide |
IUPAC Name: | 3-cyano-N-ethylbenzamide |
Description: | 3-Cyano-N-ethylbenzamide |
Molecular Weight: | 174.2 |
Molecular Formula: | C10H10N2O |
Canonical SMILES: | CCNC(=O)C1=CC=CC(=C1)C#N |
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 |
Complexity: | 228 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 174.079312947 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 174.079312947 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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