2-Fluoro-4-isopropoxyaniline - CAS 154080-04-3
Catalog: |
BB065181 |
Product Name: |
2-Fluoro-4-isopropoxyaniline |
CAS: |
154080-04-3 |
Synonyms: |
2-Fluoro-4-isopropoxyaniline; 2-fluoro-4-propan-2-yloxyaniline; 2-fluoro-4-(propan-2-yloxy)aniline; 4-Isopropoxy-2-fluoroaniline |
IUPAC Name: | 2-fluoro-4-propan-2-yloxyaniline |
Molecular Weight: | 169.2 |
Molecular Formula: | C9H12FNO |
Canonical SMILES: | CC(C)OC1=CC(=C(C=C1)N)F |
InChI: | InChI=1S/C9H12FNO/c1-6(2)12-7-3-4-9(11)8(10)5-7/h3-6H,11H2,1-2H3 |
InChI Key: | BUPRTGYJYJWLSK-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 141 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 169.090292168 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 169.090292168 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 35.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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