2-[[3-Fluoro-4-(methylcarbamoyl)phenyl]amino]-2-methylpropanoic Acid - CAS 1289942-66-0
Catalog: |
BB006960 |
Product Name: |
2-[[3-Fluoro-4-(methylcarbamoyl)phenyl]amino]-2-methylpropanoic Acid |
CAS: |
1289942-66-0 |
Synonyms: |
2-[3-fluoro-4-(methylcarbamoyl)anilino]-2-methylpropanoic acid; 2-[3-fluoro-4-(methylcarbamoyl)anilino]-2-methylpropanoic acid |
IUPAC Name: | 2-[3-fluoro-4-(methylcarbamoyl)anilino]-2-methylpropanoic acid |
Description: | 2-[[3-Fluoro-4-(methylcarbamoyl)phenyl]amino]-2-methylpropanoic Acid (CAS# 1289942-66-0) is a useful research chemical. |
Molecular Weight: | 254.26 |
Molecular Formula: | C12H15FN2O3 |
Canonical SMILES: | CC(C)(C(=O)O)NC1=CC(=C(C=C1)C(=O)NC)F |
InChI: | InChI=1S/C12H15FN2O3/c1-12(2,11(17)18)15-7-4-5-8(9(13)6-7)10(16)14-3/h4-6,15H,1-3H3,(H,14,16)(H,17,18) |
InChI Key: | IAAHEGARPMZSTJ-UHFFFAOYSA-N |
Appearance: | Powder |
Storage: | Keep in dark place, Inert atmosphere, Room temperature |
LogP: | 2.10820 |
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 |
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Complexity: | 333 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 254.10667051 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 254.10667051 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 78.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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