Ethyl 3-Bromo-4-chloroindole-1-carboxylate - CAS 1375064-58-6
Catalog: |
BB008598 |
Product Name: |
Ethyl 3-Bromo-4-chloroindole-1-carboxylate |
CAS: |
1375064-58-6 |
Synonyms: |
3-bromo-4-chloro-1-indolecarboxylic acid ethyl ester; ethyl 3-bromo-4-chloroindole-1-carboxylate |
IUPAC Name: | ethyl 3-bromo-4-chloroindole-1-carboxylate |
Description: | Ethyl 3-Bromo-4-chloroindole-1-carboxylate (CAS# 1375064-58-6 ) is a useful research chemical. |
Molecular Weight: | 302.55 |
Molecular Formula: | C11H9BrClNO2 |
Canonical SMILES: | CCOC(=O)N1C=C(C2=C1C=CC=C2Cl)Br |
InChI: | InChI=1S/C11H9BrClNO2/c1-2-16-11(15)14-6-7(12)10-8(13)4-3-5-9(10)14/h3-6H,2H2,1H3 |
InChI Key: | NYAGQMWNCBEVIU-UHFFFAOYSA-N |
LogP: | 2.28290 |
Complexity: | 277 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 300.95052 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 300.95052 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 31.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4 |
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