3-Cyano-N-isopropylbenzamide - CAS 623569-57-3
Catalog: |
BB068957 |
Product Name: |
3-Cyano-N-isopropylbenzamide |
CAS: |
623569-57-3 |
Synonyms: |
3-Cyano-N-isopropylbenzamide; 3-cyano-N-propan-2-ylbenzamide |
IUPAC Name: | 3-cyano-N-propan-2-ylbenzamide |
Description: | 3-Cyano-N-isopropylbenzamide |
Molecular Weight: | 188.23 |
Molecular Formula: | C11H12N2O |
Canonical SMILES: | CC(C)NC(=O)C1=CC=CC(=C1)C#N |
InChI: | InChI=1S/C11H12N2O/c1-8(2)13-11(14)10-5-3-4-9(6-10)7-12/h3-6,8H,1-2H3,(H,13,14) |
InChI Key: | RPELRXQGKOWZPC-UHFFFAOYSA-N |
Complexity: | 251 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.094963011 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.094963011 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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