3-Cyano-N-cyclopropylbenzamide - CAS 1016788-06-9
Catalog: |
BB068960 |
Product Name: |
3-Cyano-N-cyclopropylbenzamide |
CAS: |
1016788-06-9 |
Synonyms: |
3-cyano-N-cyclopropylbenzamide |
IUPAC Name: | 3-cyano-N-cyclopropylbenzamide |
Description: | 3-Cyano-N-cyclopropylbenzamide |
Molecular Weight: | 186.21 |
Molecular Formula: | C11H10N2O |
Canonical SMILES: | C1CC1NC(=O)C2=CC=CC(=C2)C#N |
InChI: | InChI=1S/C11H10N2O/c12-7-8-2-1-3-9(6-8)11(14)13-10-4-5-10/h1-3,6,10H,4-5H2,(H,13,14) |
InChI Key: | NPAVDBHWRYPUMB-UHFFFAOYSA-N |
Complexity: | 274 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.079312947 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.079312947 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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