3-Bromo-5-methoxybenzamide - CAS 1177558-45-0
Catalog: |
BB071400 |
Product Name: |
3-Bromo-5-methoxybenzamide |
CAS: |
1177558-45-0 |
Synonyms: |
3-Bromo-5-methoxybenzamide; 3-bromo-5-(methyloxy)benzamide; 3-Bromo-5-methoxy-benzamide |
IUPAC Name: | 3-bromo-5-methoxybenzamide |
Description: | 3-Bromo-5-methoxybenzamide |
Molecular Weight: | 230.06 |
Molecular Formula: | C8H8BrNO2 |
Canonical SMILES: | COC1=CC(=CC(=C1)C(=O)N)Br |
InChI: | InChI=1S/C8H8BrNO2/c1-12-7-3-5(8(10)11)2-6(9)4-7/h2-4H,1H3,(H2,10,11) |
InChI Key: | BCLZHRBOXZTZIO-UHFFFAOYSA-N |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.97384 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.97384 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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