Methyl 2-Amino-3-fluorobenzoate - CAS 144851-82-1
Catalog: |
BB009843 |
Product Name: |
Methyl 2-Amino-3-fluorobenzoate |
CAS: |
144851-82-1 |
Synonyms: |
2-amino-3-fluorobenzoic acid methyl ester; methyl 2-amino-3-fluorobenzoate |
IUPAC Name: | methyl 2-amino-3-fluorobenzoate |
Description: | Methyl 2-Amino-3-fluorobenzoate (CAS# 144851-82-1) is a useful research chemical. |
Molecular Weight: | 169.15 |
Molecular Formula: | C8H8FNO2 |
Canonical SMILES: | COC(=O)C1=C(C(=CC=C1)F)N |
InChI: | InChI=1S/C8H8FNO2/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4H,10H2,1H3 |
InChI Key: | ISLOQGNBENYQQF-UHFFFAOYSA-N |
Boiling Point: | 246.8 °C at 760 mmHg |
Density: | 1.264 g/cm3 |
MDL: | MFCD11870179 |
LogP: | 1.77570 |
GHS Hazard Statement: | H302 (100%): 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-2021119753-A1 | Compounds | 20191218 |
WO-2021126999-A1 | Use of biomarkers in identifying patients that will be responsive to treatment with a prmt5 inhibitor | 20191217 |
WO-2020255039-A1 | Combination of hepatitis b virus (hbv) vaccines and quinazoline derivatives | 20190618 |
CN-111848601-A | Compound containing condensed ring, application thereof and pharmaceutical composition containing compound | 20190430 |
WO-2020221074-A1 | Compound containing fused ring, use thereof and pharmaceutical composition containing same | 20190430 |
Complexity: | 174 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.05390666 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.05390666 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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Amines and Anilines
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