3-Bromo-4-iodobenzoic Acid - CAS 249647-25-4
Catalog: |
BB018683 |
Product Name: |
3-Bromo-4-iodobenzoic Acid |
CAS: |
249647-25-4 |
Synonyms: |
3-bromo-4-iodobenzoic acid; 3-bromo-4-iodobenzoic acid |
IUPAC Name: | 3-bromo-4-iodobenzoic acid |
Description: | 3-Bromo-4-iodobenzoic Acid (CAS# 249647-25-4) is a useful research chemical. |
Molecular Weight: | 326.91 |
Molecular Formula: | C7H4BrIO2 |
Canonical SMILES: | C1=CC(=C(C=C1C(=O)O)Br)I |
InChI: | InChI=1S/C7H4BrIO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,(H,10,11) |
InChI Key: | XTSUGBHLVDLGFX-UHFFFAOYSA-N |
LogP: | 2.75190 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020210831-A1 | Inhibitors of cd40-cd154 binding | 20190412 |
US-2016214971-A1 | Biaryl Acyl-Sulfonamide Compounds as Sodium Channel Inhibitors | 20131001 |
US-9663508-B2 | Biaryl acyl-sulfonamide compounds as sodium channel inhibitors | 20131001 |
WO-2015051043-A1 | Biaryl acyl-sulfonamide compounds as sodium channel inhibitors | 20131001 |
US-2014256945-A1 | Phosphonic acid compounds as sphingosine-1-phosphate receptor modulators | 20130307 |
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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