5-Bromo-4-chloro-3-indolyl acetate - CAS 3252-36-6
Catalog: |
BB021325 |
Product Name: |
5-Bromo-4-chloro-3-indolyl acetate |
CAS: |
3252-36-6 |
Synonyms: |
1H-Indol-3-ol, 5-bromo-4-chloro-, 3-acetate; 1H-Indol-3-ol, 5-bromo-4-chloro-, acetate (ester); Indol-3-ol, 5-bromo-4-chloro-, acetate; Indol-3-ol, 5-bromo-4-chloro-, acetate (ester); Indoxyl, 5-bromo-4-chloro-, acetate; 5-Bromo-4-chloro-3-indoxyl acetate; 5-Bromo-4-chloroindoxyl acetate |
IUPAC Name: | (5-bromo-4-chloro-1H-indol-3-yl) acetate |
Description: | A histochemical substrate for esterase. |
Molecular Weight: | 288.53 |
Molecular Formula: | C10H7BrClNO2 |
Canonical SMILES: | CC(=O)OC1=CNC2=C1C(=C(C=C2)Br)Cl |
InChI: | InChI=1S/C10H7BrClNO2/c1-5(14)15-8-4-13-7-3-2-6(11)10(12)9(7)8/h2-4,13H,1H3 |
InChI Key: | WPWLFFMSSOAORQ-UHFFFAOYSA-N |
Boiling Point: | 429.3±40.0 °C at 760 mmHg |
Melting Point: | 106-107 °C |
Density: | 1.721±0.06 g/cm3 |
MDL: | MFCD00037932 |
LogP: | 3.50910 |
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Complexity: | 264 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 286.93487 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 286.93487 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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