4-Bromo-7-methoxy-1-indanone - CAS 5411-61-0
Catalog: |
BB028506 |
Product Name: |
4-Bromo-7-methoxy-1-indanone |
CAS: |
5411-61-0 |
Synonyms: |
4-bromo-7-methoxy-2,3-dihydroinden-1-one |
IUPAC Name: | 4-bromo-7-methoxy-2,3-dihydroinden-1-one |
Description: | 4-Bromo-7-methoxy-1-indanone (CAS# 5411-61-0) is a useful research chemical. |
Molecular Weight: | 241.08 |
Molecular Formula: | C10H9BrO2 |
Canonical SMILES: | COC1=C2C(=C(C=C1)Br)CCC2=O |
InChI: | InChI=1S/C10H9BrO2/c1-13-9-5-3-7(11)6-2-4-8(12)10(6)9/h3,5H,2,4H2,1H3 |
InChI Key: | OJDMKCLDADYDRL-UHFFFAOYSA-N |
Boiling Point: | 368.8 ℃ at 760 mmHg |
Density: | 1.553 g/cm3 |
Appearance: | Solid |
MDL: | MFCD10565602 |
LogP: | 2.58660 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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JP-2019059723-A | Transition metal compound, catalyst for olefin polymerization and method for producing olefin polymer | 20170927 |
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Complexity: | 217 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.97859 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.97859 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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