5-Bromo-3-methylbenzofuran-2-carboxylic Acid - CAS 50638-08-9
Catalog: |
BB027159 |
Product Name: |
5-Bromo-3-methylbenzofuran-2-carboxylic Acid |
CAS: |
50638-08-9 |
Synonyms: |
5-bromo-3-methyl-2-benzofurancarboxylic acid; 5-bromo-3-methyl-1-benzofuran-2-carboxylic acid |
IUPAC Name: | 5-bromo-3-methyl-1-benzofuran-2-carboxylic acid |
Description: | 5-Bromo-3-methylbenzofuran-2-carboxylic Acid (CAS# 50638-08-9) is a useful research chemical. |
Molecular Weight: | 255.06 |
Molecular Formula: | C10H7BrO3 |
Canonical SMILES: | CC1=C(OC2=C1C=C(C=C2)Br)C(=O)O |
InChI: | InChI=1S/C10H7BrO3/c1-5-7-4-6(11)2-3-8(7)14-9(5)10(12)13/h2-4H,1H3,(H,12,13) |
InChI Key: | XXPAQRBXERJCQH-UHFFFAOYSA-N |
Boiling Point: | 383.7 °C at 760 mmHg |
LogP: | 3.20190 |
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 |
TW-201902877-A | PD�1/PD�L1 inhibitor | 20170420 |
CN-109153643-A | Substituted indole MCL-1 inhibitors | 20160304 |
US-8338413-B1 | Oxazine derivatives and their use in the treatment of neurological disorders | 20120307 |
CA-2824493-A1 | Bace-2 inhibitors for the treatment of metabolic disorders | 20110113 |
EP-2663308-A1 | Bace-2 inhibitors for the treatment of metabolic disorders | 20110113 |
Complexity: | 244 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 253.95786 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 253.95786 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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