5-chloro-1H-pyrrole-3-carboxylic acid - CAS 79600-77-4
Catalog: |
BB036381 |
Product Name: |
5-chloro-1H-pyrrole-3-carboxylic acid |
CAS: |
79600-77-4 |
Synonyms: |
5-chloro-1H-pyrrole-3-carboxylic acid; 5-chloro-1H-pyrrole-3-carboxylic acid |
IUPAC Name: | 5-chloro-1H-pyrrole-3-carboxylic acid |
Description: | 5-chloro-1H-pyrrole-3-carboxylic acid (CAS# 79600-77-4) is a useful research chemical. |
Molecular Weight: | 145.542 |
Molecular Formula: | C5H4ClNO2 |
Canonical SMILES: | C1=C(NC=C1C(=O)O)Cl |
InChI: | InChI=1S/C5H4ClNO2/c6-4-1-3(2-7-4)5(8)9/h1-2,7H,(H,8,9) |
InChI Key: | FAFCJBVGFLUQSB-UHFFFAOYSA-N |
LogP: | 1.36630 |
Publication Number | Title | Priority Date |
TW-202010740-A | MCL-1 inhibitors | 20180514 |
US-10703733-B2 | MCL-1 inhibitors | 20180514 |
US-2019352271-A1 | Mcl-1 inhibitors | 20180514 |
WO-2019222112-A1 | Mcl-1 inhibitors | 20180514 |
AU-2019269391-A1 | MCL-1 inhibitors | 20180514 |
Complexity: | 128 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 144.9930561 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 144.9930561 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 53.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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