3-Iodo-N-isopropylbenzamide - CAS 333441-67-1
Catalog: |
BB060655 |
Product Name: |
3-Iodo-N-isopropylbenzamide |
CAS: |
333441-67-1 |
Synonyms: |
3-iodo-N-isopropylbenzamide; 3-iodo-N-propan-2-ylbenzamide; 3-iodo-N-(propan-2-yl)benzamide; N-Isopropyl-3-iodobenzamide; 3-iodo-N~1~-isopropylbenzamide |
IUPAC Name: | 3-iodo-N-propan-2-ylbenzamide |
Description: | 3-Iodo-N-isopropylbenzamide |
Molecular Weight: | 289.11 |
Molecular Formula: | C10H12INO |
Canonical SMILES: | CC(C)NC(=O)C1=CC(=CC=C1)I |
InChI: | InChI=1S/C10H12INO/c1-7(2)12-10(13)8-4-3-5-9(11)6-8/h3-7H,1-2H3,(H,12,13) |
InChI Key: | XVCMWPTXZWPAGY-UHFFFAOYSA-N |
Complexity: | 182 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 288.99636 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 288.99636 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 29.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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