2-Bromo-3-iodobenzoic Acid - CAS 855198-37-7
Catalog: |
BB037640 |
Product Name: |
2-Bromo-3-iodobenzoic Acid |
CAS: |
855198-37-7 |
Synonyms: |
2-bromo-3-iodobenzoic acid; 2-bromo-3-iodobenzoic acid |
IUPAC Name: | 2-bromo-3-iodobenzoic acid |
Description: | 2-Bromo-3-iodobenzoic Acid (CAS# 855198-37-7) is a useful research chemical. |
Molecular Weight: | 326.91 |
Molecular Formula: | C7H4BrIO2 |
Canonical SMILES: | C1=CC(=C(C(=C1)I)Br)C(=O)O |
InChI: | InChI=1S/C7H4BrIO2/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3H,(H,10,11) |
InChI Key: | SLQSFNIMAOUADF-UHFFFAOYSA-N |
Boiling Point: | 376.5 °C at 760 mmHg |
Density: | 2.331 g/cm3 |
Appearance: | Solid |
LogP: | 2.75190 |
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-111718310-A | Phenyl-substituted five-membered heterocyclic compound, and preparation method, application and pharmaceutical composition thereof | 20190819 |
WO-2021031788-A1 | Phenyl-substituted five-membered heterocyclic compound, preparation method therefor, use thereof, and pharmaceutical composition comprising same | 20190819 |
CN-111718310-B | Phenyl-substituted five-membered heterocyclic compound, and preparation method, application and pharmaceutical composition thereof | 20190819 |
CN-110845520-A | Macrocyclic indoles as MCL-1 inhibitors | 20181122 |
WO-2020103864-A1 | Macrocyclic indoles as mcl-1 inhibitors | 20181122 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 325.84394 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 325.84394 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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