Methyl 3-Bromo-5-fluoro-4-methylbenzoate - CAS 1533932-57-8
Catalog: |
BB010889 |
Product Name: |
Methyl 3-Bromo-5-fluoro-4-methylbenzoate |
CAS: |
1533932-57-8 |
Synonyms: |
3-bromo-5-fluoro-4-methylbenzoic acid methyl ester; methyl 3-bromo-5-fluoro-4-methylbenzoate |
IUPAC Name: | methyl 3-bromo-5-fluoro-4-methylbenzoate |
Description: | Methyl 3-Bromo-5-fluoro-4-methylbenzoate (CAS# 1533932-57-8) is a useful research chemical. |
Molecular Weight: | 247.06 |
Molecular Formula: | C9H8BrFO2 |
Canonical SMILES: | CC1=C(C=C(C=C1Br)C(=O)OC)F |
InChI: | InChI=1S/C9H8BrFO2/c1-5-7(10)3-6(4-8(5)11)9(12)13-2/h3-4H,1-2H3 |
InChI Key: | MBOAEPYPUBWIRI-UHFFFAOYSA-N |
Appearance: | Pale-yellow to yellow-brown solid |
LogP: | 2.68320 |
Publication Number | Title | Priority Date |
JP-2020164525-A | Glucose sensitive insulin derivative | 20190329 |
JP-6795718-B2 | Glucose sensitive insulin derivative | 20190329 |
WO-2020201041-A2 | Glucose sensitive insulin derivatives | 20190329 |
TW-202102253-A | Glucose sensitive insulin derivatives | 20190329 |
TW-I717245-B | Glucose sensitive insulin derivatives | 20190329 |
Complexity: | 198 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.96917 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.96917 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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