Methyl 5-Bromo-3-pyrrolecarboxylate - CAS 16420-39-6
Catalog: |
BB012082 |
Product Name: |
Methyl 5-Bromo-3-pyrrolecarboxylate |
CAS: |
16420-39-6 |
Synonyms: |
5-bromo-1H-pyrrole-3-carboxylic acid methyl ester; methyl 5-bromo-1H-pyrrole-3-carboxylate |
IUPAC Name: | methyl 5-bromo-1H-pyrrole-3-carboxylate |
Description: | Methyl 5-Bromo-3-pyrrolecarboxylate (CAS# 16420-39-6) is a useful research chemical. |
Molecular Weight: | 204.02 |
Molecular Formula: | C6H6BrNO2 |
Canonical SMILES: | COC(=O)C1=CNC(=C1)Br |
InChI: | InChI=1S/C6H6BrNO2/c1-10-6(9)4-2-5(7)8-3-4/h2-3,8H,1H3 |
InChI Key: | XFBMRYPQVXPYQB-UHFFFAOYSA-N |
Boiling Point: | 341.192 ℃ at 760 mmHg |
Density: | 1.675 g/cm3 |
LogP: | 1.56380 |
Publication Number | Title | Priority Date |
KR-102274077-B1 | Pyrrolidine derivatives as inhibitor of fibroblast activation protein (fap) and pharmaceutical composition including the same | 20190329 |
KR-20200115934-A | Pyrrolidine derivatives as inhibitor of fibroblast activation protein (fap) and pharmaceutical composition including the same | 20190329 |
WO-2020010155-A1 | Compounds and compositions for treating conditions associated with sting activity | 20180703 |
CN-112823151-A | Compounds and compositions for treating diseases associated with STING activity | 20180703 |
EP-3818044-A1 | Compounds and compositions for treating conditions associated with sting activity | 20180703 |
Complexity: | 140 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 202.95819 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 202.95819 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS