3-Fluoro-2-iodobenzoic Acid - CAS 387-48-4
Catalog: |
BB023743 |
Product Name: |
3-Fluoro-2-iodobenzoic Acid |
CAS: |
387-48-4 |
Synonyms: |
3-fluoro-2-iodobenzoic acid; 3-fluoro-2-iodobenzoic acid |
IUPAC Name: | 3-fluoro-2-iodobenzoic acid |
Description: | 3-Fluoro-2-iodobenzoic Acid (CAS# 387-48-4) is a useful research chemical. |
Molecular Weight: | 266.01 |
Molecular Formula: | C7H4FIO2 |
Canonical SMILES: | C1=CC(=C(C(=C1)F)I)C(=O)O |
InChI: | InChI=1S/C7H4FIO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H,10,11) |
InChI Key: | CXPLPVNWMLRKTO-UHFFFAOYSA-N |
Boiling Point: | 314 °C at 760 mmHg |
Density: | 2.074 g/cm3 |
MDL: | MFCD07774249 |
LogP: | 2.12850 |
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 |
US-2020102311-A1 | Monoacylglycerol Lipase Modulators | 20180928 |
WO-2020065614-A1 | Monoacylglycerol lipase modulators | 20180928 |
TW-202035409-A | Monoacylglycerol lipase modulators | 20180928 |
CN-113164458-A | Monoacylglycerol lipase modulators | 20180928 |
EP-3856179-A1 | Monoacylglycerol lipase modulators | 20180928 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 265.92401 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 265.92401 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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