Text Search
Structure Search

[3-(trifluoromethyl)phenyl]methylurea

[3-(trifluoromethyl)phenyl]methylurea

CAS: 296277-59-3

Formula: C9H9F3N2O

SMILES: NC(=O)NCC1=CC=CC(=C1)C(F)(F)F

IUPAC: {[3-(trifluoromethyl)phenyl]methyl}urea

InChI: InChI=1S/C9H9F3N2O/c10-9(11,12)7-3-1-2-6(4-7)5-14-8(13)15/h1-4H,5H2,(H3,13,14,15)

Composition: C (49.55%), H (4.16%), F (26.12%), N (12.84%), O (7.33%)

Molar Mass: 218.179

Atom Count: 24

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 218.066697407
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 2
InChIKey YIKZWHBLEGFJAG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.63
Topological Polar Surface Area 55.12
Polarizability 17.61
Ring Count 1
Rotatable Bond Count 3

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
| Clear Filters
Key Organics Ltd
Supplier Profile
Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 296277-59-3 $51.35-$359.43$51.35$63.37$75.38$86.31$120.18$359.43
Request Quote