Ethyl 2-bromo-3-chlorobenzoate - CAS 1261751-13-6
Catalog: |
BB054741 |
Product Name: |
Ethyl 2-bromo-3-chlorobenzoate |
CAS: |
1261751-13-6 |
Synonyms: |
ethyl2-bromo-3-chlorobenzoate |
IUPAC Name: | ethyl 2-bromo-3-chlorobenzoate |
Molecular Weight: | 263.51 |
Molecular Formula: | C9H8BrClO2 |
Canonical SMILES: | CCOC(=O)C1=C(C(=CC=C1)Cl)Br |
InChI: | InChI=1S/C9H8BrClO2/c1-2-13-9(12)6-4-3-5-7(11)8(6)10/h3-5H,2H2,1H3 |
InChI Key: | TYIFFCZRIWXIBT-UHFFFAOYSA-N |
Complexity: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 261.93962 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 261.93962 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.5 |
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