2-Bromo-4,5-dimethoxybenzoic acid - CAS 6286-46-0
Catalog: |
BB031849 |
Product Name: |
2-Bromo-4,5-dimethoxybenzoic acid |
CAS: |
6286-46-0 |
Synonyms: |
2-bromo-4,5-dimethoxybenzoic acid |
IUPAC Name: | 2-bromo-4,5-dimethoxybenzoic acid |
Description: | 2-Bromo-4,5-dimethoxybenzoic acid (CAS# 6286-46-0) is a compound useful in organic synthesis. |
Molecular Weight: | 261.07 |
Molecular Formula: | C9H9BrO4 |
Canonical SMILES: | COC1=C(C=C(C(=C1)C(=O)O)Br)OC |
InChI: | InChI=1S/C9H9BrO4/c1-13-7-3-5(9(11)12)6(10)4-8(7)14-2/h3-4H,1-2H3,(H,11,12) |
InChI Key: | HWFCHCRFQWEFMU-UHFFFAOYSA-N |
Boiling Point: | 337.6 °C at 760 mmHg |
Melting Point: | 188-190 °C (lit.) |
Purity: | 98 % |
Density: | 1.571 g/cm3 |
Appearance: | Off-white crystalline solid |
Storage: | Room temperature. |
MDL: | MFCD00017542 |
LogP: | 2.16450 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021188857-A1 | Sos1 inhibitors | 20191220 |
WO-2021127429-A1 | Sos1 inhibitors | 20191220 |
WO-2021119554-A1 | Compositions and methods for potentiating immune activity | 20191212 |
RU-2712023-C1 | Method of producing urolithin d, having hypoglycemic action | 20190819 |
WO-2020146682-A1 | Carboxamides as modulators of sodium channels | 20190110 |
Complexity: | 209 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 259.96842 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 259.96842 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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