4-(Difluoromethyl)aniline - CAS 49658-26-6
Catalog: |
BB062950 |
Product Name: |
4-(Difluoromethyl)aniline |
CAS: |
49658-26-6 |
Synonyms: |
4-(Difluoromethyl)benzenamine; p-(Difluoromethyl)aniline; α,α-Difluoro-p-toluidine |
IUPAC Name: | 4-(difluoromethyl)aniline |
Description: | 4-(Difluoromethyl)-aniline is a reagent used for the synthesis of N-(1,3-thiazol-2-yl)ureas. |
Molecular Weight: | 143.13 |
Molecular Formula: | C7H7F2N |
Canonical SMILES: | C1=CC(=CC=C1C(F)F)N |
InChI: | InChI=1S/C7H7F2N/c8-7(9)5-1-3-6(10)4-2-5/h1-4,7H,10H2 |
InChI Key: | FRVATKJLVXRQHU-UHFFFAOYSA-N |
References: | Vovk, M. V., et al. Russ. J. Org. Chem., 42, 139-141 (2006). |
Complexity: | 97.8 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 143.05465555 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 143.05465555 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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