3-(Chloromethyl)-N-isopropylbenzamide - CAS 1152622-73-5
Catalog: |
BB069654 |
Product Name: |
3-(Chloromethyl)-N-isopropylbenzamide |
CAS: |
1152622-73-5 |
Synonyms: |
3-(Chloromethyl)-N-isopropylbenzamide; 3-(chloromethyl)-N-propan-2-ylbenzamide |
IUPAC Name: | 3-(chloromethyl)-N-propan-2-ylbenzamide |
Description: | 3-(Chloromethyl)-N-isopropylbenzamide |
Molecular Weight: | 211.68 |
Molecular Formula: | C11H14ClNO |
Canonical SMILES: | CC(C)NC(=O)C1=CC=CC(=C1)CCl |
InChI: | InChI=1S/C11H14ClNO/c1-8(2)13-11(14)10-5-3-4-9(6-10)7-12/h3-6,8H,7H2,1-2H3,(H,13,14) |
InChI Key: | NFFFGDIGNJYQMG-UHFFFAOYSA-N |
Complexity: | 194 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.0763918 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.0763918 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 29.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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