Methyl 3-Amino-5-(trifluoromethyl)benzoate - CAS 22235-25-2
Catalog: |
BB017461 |
Product Name: |
Methyl 3-Amino-5-(trifluoromethyl)benzoate |
CAS: |
22235-25-2 |
Synonyms: |
3-amino-5-(trifluoromethyl)benzoic acid methyl ester; methyl 3-amino-5-(trifluoromethyl)benzoate |
IUPAC Name: | methyl 3-amino-5-(trifluoromethyl)benzoate |
Description: | Methyl 3-Amino-5-(trifluoromethyl)benzoate (CAS# 22235-25-2) is a useful research chemical. |
Molecular Weight: | 219.16 |
Molecular Formula: | C9H8F3NO2 |
Canonical SMILES: | COC(=O)C1=CC(=CC(=C1)N)C(F)(F)F |
InChI: | InChI=1S/C9H8F3NO2/c1-15-8(14)5-2-6(9(10,11)12)4-7(13)3-5/h2-4H,13H2,1H3 |
InChI Key: | UOVPHHSFTNRQHJ-UHFFFAOYSA-N |
Boiling Point: | 292.8 °C at 760 mmHg |
Density: | 1.343 g/cm3 |
MDL: | MFCD00625827 |
LogP: | 2.65540 |
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 |
US-2020102303-A1 | Monoacylglycerol Lipase Modulators | 20180928 |
WO-2020065613-A1 | Monoacylglycerol lipase modulators | 20180928 |
TW-202028198-A | Monoacylglycerol lipase modulators | 20180928 |
CN-113164459-A | Monoacylglycerol lipase modulators | 20180928 |
EP-3856178-A1 | Monoacylglycerol lipase modulators | 20180928 |
Complexity: | 242 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.05071298 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.05071298 |
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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