5-Bromo-2,3-dimethoxybenzaldehyde - CAS 71295-21-1
Catalog: |
BB034353 |
Product Name: |
5-Bromo-2,3-dimethoxybenzaldehyde |
CAS: |
71295-21-1 |
Synonyms: |
5-bromo-2,3-dimethoxybenzaldehyde |
IUPAC Name: | 5-bromo-2,3-dimethoxybenzaldehyde |
Description: | 5-Bromo-2,3-dimethoxybenzaldehyde (CAS# 71295-21-1 ) is a useful research chemical. |
Molecular Weight: | 245.07 |
Molecular Formula: | C9H9BrO3 |
Canonical SMILES: | COC1=C(C(=CC(=C1)Br)C=O)OC |
InChI: | InChI=1S/C9H9BrO3/c1-12-8-4-7(10)3-6(5-11)9(8)13-2/h3-5H,1-2H3 |
InChI Key: | RVMWFOFQRYTRHZ-UHFFFAOYSA-N |
Boiling Point: | 312.7 °C at 760 mmHg |
Density: | 1.482 g/cm3 |
MDL: | MFCD02611624 |
LogP: | 2.27880 |
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 |
CN-108727176-B | Method for preparing 5-halogen-2, 3-dihydroxy benzaldehyde | 20180726 |
CN-110914242-A | Propionic acid derivatives and methods of use thereof | 20170426 |
US-2020223801-A1 | Biphenyl Compound As CCR2/CCR5 Receptor Antagonist | 20161209 |
US-11155523-B2 | Biphenyl compound as CCR2/CCR5 receptor antagonist | 20161209 |
EP-3423435-A1 | Substituted indole mcl-1 inhibitors | 20160304 |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 243.97351 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 243.97351 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 35.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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