2-Fluoro-4-(trifluoromethoxy)aniline - CAS 123572-58-7
Catalog: |
BB005723 |
Product Name: |
2-Fluoro-4-(trifluoromethoxy)aniline |
CAS: |
123572-58-7 |
Synonyms: |
2-fluoro-4-(trifluoromethoxy)aniline; 2-fluoro-4-(trifluoromethoxy)aniline |
IUPAC Name: | 2-fluoro-4-(trifluoromethoxy)aniline |
Description: | 2-Fluoro-4-(trifluoromethoxy)aniline (CAS# 123572-58-7) is a useful research chemical compound. |
Molecular Weight: | 195.11 |
Molecular Formula: | C7H5F4NO |
Canonical SMILES: | C1=CC(=C(C=C1OC(F)(F)F)F)N |
InChI: | InChI=1S/C7H5F4NO/c8-5-3-4(1-2-6(5)12)13-7(9,10)11/h1-3H,12H2 |
InChI Key: | HDDJDTDRGKHRBG-UHFFFAOYSA-N |
MDL: | MFCD15527448 |
LogP: | 2.88770 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
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Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.03072643 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.03072643 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 35.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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Amines and Anilines
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