Text Search
Structure Search

1-(bromomethyl)-2-fluoro-3-(trifluoromethoxy)benzene

1-(bromomethyl)-2-fluoro-3-(trifluoromethoxy)benzene

CAS: 1159512-59-0

Formula: C8H5BrF4O

SMILES: FC1=C(CBr)C=CC=C1OC(F)(F)F

IUPAC: 1-(bromomethyl)-2-fluoro-3-(trifluoromethoxy)benzene

InChI: InChI=1S/C8H5BrF4O/c9-4-5-2-1-3-6(7(5)10)14-8(11,12)13/h1-3H,4H2

Composition: C (35.19%), H (1.85%), Br (29.27%), F (27.83%), O (5.86%)

Molar Mass: 273.025

Atom Count: 19

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 271.94599
Formal Charge 0
FSP3 0.25
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey YCLRETLTIMECAI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.2
Topological Polar Surface Area 9.23
Polarizability 17.12
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
90% <2 Days 1159512-59-0 $51.35-$86.31$51.35$63.37$86.31
Request Quote