Methyl 2-Amino-4,6-difluorobenzoate - CAS 379228-57-6
Catalog: |
BB023468 |
Product Name: |
Methyl 2-Amino-4,6-difluorobenzoate |
CAS: |
379228-57-6 |
Synonyms: |
2-amino-4,6-difluorobenzoic acid methyl ester; methyl 2-amino-4,6-difluorobenzoate |
IUPAC Name: | methyl 2-amino-4,6-difluorobenzoate |
Description: | Methyl 2-Amino-4,6-difluorobenzoate (CAS# 379228-57-6) is a useful research chemical. |
Molecular Weight: | 187.14 |
Molecular Formula: | C8H7F2NO2 |
Canonical SMILES: | COC(=O)C1=C(C=C(C=C1N)F)F |
InChI: | InChI=1S/C8H7F2NO2/c1-13-8(12)7-5(10)2-4(9)3-6(7)11/h2-3H,11H2,1H3 |
InChI Key: | SECMISFZCMBTKJ-UHFFFAOYSA-N |
LogP: | 1.91480 |
Publication Number | Title | Priority Date |
WO-2020257416-A1 | Targeted protein degradation of parp14 for use in therapy | 20190619 |
WO-2019149164-A1 | Erbb/btk inhibitors | 20180131 |
US-2020316079-A1 | Erbb/btk inhibitors | 20180131 |
US-11007198-B2 | ErbB/BTK inhibitors | 20180131 |
TW-201927757-A | Quinazolinone as a PARP14 inhibitor | 20171221 |
Complexity: | 201 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.04448479 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.04448479 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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