4-Bromo-N-(2-hydroxyethyl)naphthalene-1-carboxamide - CAS 1375069-28-5
Catalog: |
BB072047 |
Product Name: |
4-Bromo-N-(2-hydroxyethyl)naphthalene-1-carboxamide |
CAS: |
1375069-28-5 |
Synonyms: |
4-Bromo-N-(2-hydroxyethyl)naphthalene-1-carboxamide; 4-Bromo-N-(2-hydroxyethyl)-1-naphthamide |
IUPAC Name: | 4-bromo-N-(2-hydroxyethyl)naphthalene-1-carboxamide |
Description: | 4-Bromo-N-(2-hydroxyethyl)naphthalene-1-carboxamide |
Molecular Weight: | 294.14 |
Molecular Formula: | C13H12BrNO2 |
Canonical SMILES: | C1=CC=C2C(=C1)C(=CC=C2Br)C(=O)NCCO |
InChI: | InChI=1S/C13H12BrNO2/c14-12-6-5-11(13(17)15-7-8-16)9-3-1-2-4-10(9)12/h1-6,16H,7-8H2,(H,15,17) |
InChI Key: | TWTKBTMSZXLEMA-UHFFFAOYSA-N |
Complexity: | 272 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 293.00514 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 293.00514 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 49.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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