1-(3-(Trifluoromethyl)phenyl)urea - CAS 13114-87-9
Catalog: |
BB050126 |
Product Name: |
1-(3-(Trifluoromethyl)phenyl)urea |
CAS: |
13114-87-9 |
Synonyms: |
N-[3-(trifluoromethyl)phenyl]urea; 3-Trifluoromethylphenylurea; (3-Trifluoromethylphenyl)urea |
IUPAC Name: | [3-(trifluoromethyl)phenyl]urea |
Description: | 1-(3-(Trifluoromethyl)phenyl)urea (CAS# 13114-87-9 ) is a useful research chemical. |
Molecular Weight: | 204.15 |
Molecular Formula: | C8H7F3N2O |
Canonical SMILES: | C1=CC(=CC(=C1)NC(=O)N)C(F)(F)F |
InChI: | InChI=1S/C8H7F3N2O/c9-8(10,11)5-2-1-3-6(4-5)13-7(12)14/h1-4H,(H3,12,13,14) |
InChI Key: | FQEIBEOBXKJAMZ-UHFFFAOYSA-N |
Boiling Point: | 237.0±40.0 °C (Predicted) |
Melting Point: | 101-103 °C |
Purity: | 95 % |
Density: | 1.425±0.06 g/cm3 (Predicted) |
Complexity: | 217 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.05104734 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.05104734 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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