Methyl 4-bromo-3-iodobenzoate - CAS 1257231-51-8
Catalog: |
BB059821 |
Product Name: |
Methyl 4-bromo-3-iodobenzoate |
CAS: |
1257231-51-8 |
Synonyms: |
methyl 4-bromo-3-iodobenzoate; 4-Bromo-3-iodo-benzoic acid methyl ester; Benzoic acid, 4-bromo-3-iodo-, methyl ester; methyl4-bromo-3-iodobenzoate |
IUPAC Name: | methyl 4-bromo-3-iodobenzoate |
Description: | Methyl 4-bromo-3-iodobenzoate |
Molecular Weight: | 340.94 |
Molecular Formula: | C8H6BrIO2 |
Canonical SMILES: | COC(=O)C1=CC(=C(C=C1)Br)I |
InChI: | InChI=1S/C8H6BrIO2/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4H,1H3 |
InChI Key: | FKMRYNGFIBQMMZ-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020210366-A1 | Condensed azines for ep300 or cbp modulation and indications therefor | 20190409 |
TW-202104221-A | Compounds and methods for ep300 or cbp modulation and indications therefor | 20190409 |
US-2021315872-A1 | COMPOUNDS AND METHODS FOR EP300 or CBP MODULATION AND INDICATIONS THEREFOR | 20190409 |
AU-2020271836-A1 | Condensed azines for EP300 or CBP modulation and indications therefor | 20190409 |
CA-3136224-A1 | Condensed azines for ep300 or cbp modulation and indications therefor | 20190409 |
CN-113710668-A | Condensed azines for EP300 or CBP modulation and indications therefor | 20190409 |
EP-3953351-A1 | Condensed azines for ep300 or cbp modulation and indications therefor | 20190409 |
WO-2019209811-A1 | Macrocyclic toll-like receptor 7 (tlr7) agonists | 20180424 |
US-2021053979-A1 | Macrocyclic toll-like receptor 7 (tlr7) agonists | 20180424 |
EP-3504205-A1 | Hormone receptor modulators for treating metabolic conditions and disorders | 20160823 |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 339.85959 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 339.85959 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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