7-Bromo-4-hydroxy-2H-chromen-2-one - CAS 18735-82-5
Catalog: |
BB014420 |
Product Name: |
7-Bromo-4-hydroxy-2H-chromen-2-one |
CAS: |
18735-82-5 |
Synonyms: |
7-bromo-4-hydroxy-1-benzopyran-2-one; 7-bromo-4-hydroxychromen-2-one |
IUPAC Name: | 7-bromo-4-hydroxychromen-2-one |
Description: | 7-Bromo-4-hydroxy-2H-chromen-2-one (CAS# 18735-82-5) is a useful research chemical. |
Molecular Weight: | 241.04 |
Molecular Formula: | C9H5BrO3 |
Canonical SMILES: | C1=CC2=C(C=C1Br)OC(=O)C=C2O |
InChI: | InChI=1S/C9H5BrO3/c10-5-1-2-6-7(11)4-9(12)13-8(6)3-5/h1-4,11H |
InChI Key: | UJWIUPBUKQLTTJ-UHFFFAOYSA-N |
MDL: | MFCD12196352 |
LogP: | 2.26110 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-101841834-B1 | Novel synthetic method of chromenopyridinone compounds | 20160630 |
KR-20180003668-A | Novel synthetic method of chromenopyridinone compounds | 20160630 |
AU-2016314355-A1 | Sulfonamide compounds as voltage-gated sodium channel modulators | 20150904 |
CA-2996263-A1 | Sulfonamide compounds as voltage-gated sodium channel modulators | 20150904 |
EP-3344621-A1 | Sulfonamide compounds as voltage-gated sodium channel modulators | 20150904 |
Complexity: | 262 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.94221 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.94221 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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