7-Bromo-4-oxo-4H-chromene-2-carboxylic Acid - CAS 113850-96-7
Catalog: |
BB003275 |
Product Name: |
7-Bromo-4-oxo-4H-chromene-2-carboxylic Acid |
CAS: |
113850-96-7 |
Synonyms: |
7-bromo-4-oxo-1-benzopyran-2-carboxylic acid; 7-bromo-4-oxochromene-2-carboxylic acid |
IUPAC Name: | 7-bromo-4-oxochromene-2-carboxylic acid |
Description: | 7-Bromo-4-oxo-4H-chromene-2-carboxylic Acid (CAS# 113850-96-7) is a useful research chemical. |
Molecular Weight: | 269.05 |
Molecular Formula: | C10H5BrO4 |
Canonical SMILES: | C1=CC2=C(C=C1Br)OC(=CC2=O)C(=O)O |
InChI: | InChI=1S/C10H5BrO4/c11-5-1-2-6-7(12)4-9(10(13)14)15-8(6)3-5/h1-4H,(H,13,14) |
InChI Key: | VACMFRPTBQYGGH-UHFFFAOYSA-N |
Boiling Point: | 397.767 °C at 760 mmHg |
Density: | 1.875 g/cm3 |
MDL: | MFCD08690667 |
LogP: | 2.25370 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-20200055868-A | 4-oxo-4H-chromene-2-carboxamide derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating Urotensin-â…¡ receptor activity related diseases containing the same as an active ingredient | 20181113 |
KR-102166428-B1 | 4-oxo-4H-chromene-2-carboxamide derivatives, preparation method thereof, and pharmaceutical composition for use in preventing or treating Urotensin-â…¡ receptor activity related diseases containing the same as an active ingredient | 20181113 |
EP-3325462-A1 | Lysyl oxidase-like 2 inhibitors and uses thereof | 20150723 |
JP-2018521044-A | Lysyl oxidase like 2 inhibitor and its use | 20150723 |
US-2018215727-A1 | Lysyl oxidase-like 2 inhibitors and uses thereof | 20150723 |
Complexity: | 336 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 267.93712 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 267.93712 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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