Methyl 4-Fluoropyrrole-2-carboxylate - CAS 475561-89-8
Catalog: |
BB026342 |
Product Name: |
Methyl 4-Fluoropyrrole-2-carboxylate |
CAS: |
475561-89-8 |
Synonyms: |
4-fluoro-1H-pyrrole-2-carboxylic acid methyl ester; methyl 4-fluoro-1H-pyrrole-2-carboxylate |
IUPAC Name: | methyl 4-fluoro-1H-pyrrole-2-carboxylate |
Description: | Methyl 4-Fluoropyrrole-2-carboxylate (CAS# 475561-89-8) is a useful research chemical. |
Molecular Weight: | 143.12 |
Molecular Formula: | C6H6FNO2 |
Canonical SMILES: | COC(=O)C1=CC(=CN1)F |
InChI: | InChI=1S/C6H6FNO2/c1-10-6(9)5-2-4(7)3-8-5/h2-3,8H,1H3 |
InChI Key: | DQCVQMRMLSMVDL-UHFFFAOYSA-N |
MDL: | MFCD11042594 |
LogP: | 0.94040 |
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-201940485-A | Aminopyrrolotriamidine as a kinase inhibitor | 20180126 |
WO-2019147782-A1 | Aminopyrrolotriazines as kinase inhibitors | 20180126 |
AU-2019211382-A1 | Aminopyrrolotriazines as kinase inhibitors | 20180126 |
EP-3743430-A1 | Aminopyrrolotriazines as kinase inhibitors | 20180126 |
KR-20200115550-A | Aminopyrrolotriazine as a kinase inhibitor | 20180126 |
Complexity: | 140 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 143.03825660 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 143.03825660 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 42.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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