2-Bromo-6-methoxybenzoic Acid - CAS 31786-45-5
Catalog: |
BB021062 |
Product Name: |
2-Bromo-6-methoxybenzoic Acid |
CAS: |
31786-45-5 |
Synonyms: |
2-bromo-6-methoxybenzoic acid; 2-bromo-6-methoxybenzoic acid |
IUPAC Name: | 2-bromo-6-methoxybenzoic acid |
Description: | 2-Bromo-6-methoxybenzoic Acid (CAS# 31786-45-5) is a useful research chemical. |
Molecular Weight: | 231.04 |
Molecular Formula: | C8H7BrO3 |
Canonical SMILES: | COC1=C(C(=CC=C1)Br)C(=O)O |
InChI: | InChI=1S/C8H7BrO3/c1-12-6-4-2-3-5(9)7(6)8(10)11/h2-4H,1H3,(H,10,11) |
InChI Key: | BNYFDICJYCBPRW-UHFFFAOYSA-N |
Boiling Point: | 315.119 °C at 760 mmHg |
Density: | 1.625 g/cm3 |
MDL: | MFCD00800732 |
LogP: | 2.15590 |
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 |
WO-2020120994-A1 | Orexin 1 receptor antagonists | 20181214 |
WO-2020016389-A1 | Thioxanthone derivatives, composition comprising the same and pattern forming method comprising said composition | 20180719 |
TW-202019897-A | Photoinitiator | 20180719 |
CN-112969965-A | Thioxanthone derivative, composition comprising the same, and pattern forming method comprising the composition | 20180719 |
EP-3824349-A1 | Thioxanthone derivatives, composition comprising the same and pattern forming method comprising said composition | 20180719 |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.95786 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.95786 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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