2-amino-4,6-difluorobenzoic acid - CAS 126674-77-9
Catalog: |
BB006626 |
Product Name: |
2-amino-4,6-difluorobenzoic acid |
CAS: |
126674-77-9 |
Synonyms: |
2-amino-4,6-difluorobenzoic acid; 2-amino-4,6-difluorobenzoic acid |
IUPAC Name: | 2-amino-4,6-difluorobenzoic acid |
Description: | 2-amino-4,6-difluorobenzoic acid (CAS# 126674-77-9) is a useful research chemical. |
Molecular Weight: | 173.12 |
Molecular Formula: | C7H5F2NO2 |
Canonical SMILES: | C1=C(C=C(C(=C1F)C(=O)O)N)F |
InChI: | InChI=1S/C7H5F2NO2/c8-3-1-4(9)6(7(11)12)5(10)2-3/h1-2H,10H2,(H,11,12) |
InChI Key: | TWSZCEBPTKBNBR-UHFFFAOYSA-N |
Boiling Point: | 305.752 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.536 g/cm3 |
MDL: | MFCD03618449 |
LogP: | 1.82640 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021130638-A1 | Diacylglycerol kinase modulating compounds | 20191224 |
WO-2020261114-A1 | 2,3-dihydroquinazolin compounds as nav1.8 inhibitors | 20190627 |
WO-2020257416-A1 | Targeted protein degradation of parp14 for use in therapy | 20190619 |
CN-111635373-A | Polycyclic sulfonamide ROR gamma modulators | 20190301 |
WO-2019149164-A1 | Erbb/btk inhibitors | 20180131 |
Complexity: | 188 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 173.02883473 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 173.02883473 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 63.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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