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3-bromo-2-[(4-methoxyphenyl)methoxy]benzonitrile

3-bromo-2-[(4-methoxyphenyl)methoxy]benzonitrile

Formula: C15H12BrNO2

SMILES: COC1=CC=C(COC2=C(C=CC=C2Br)C#N)C=C1

IUPAC: 3-bromo-2-[(4-methoxyphenyl)methoxy]benzonitrile

InChI: InChI=1S/C15H12BrNO2/c1-18-13-7-5-11(6-8-13)10-19-15-12(9-17)3-2-4-14(15)16/h2-8H,10H2,1H3

Composition: C (56.63%), H (3.80%), Br (25.11%), N (4.40%), O (10.06%)

Molar Mass: 318.17

Atom Count: 31

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 317.005142
Formal Charge 0
FSP3 0.13
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey GECJNOSLKHPNFI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.94
Topological Polar Surface Area 42.25
Polarizability 29.54
Ring Count 2
Rotatable Bond Count 4

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
A1 Bio Chem Labs
Purity LeadTime Formula UnitPrice
0% <10 Days C15H12BrNO2 Quote Only
Chemcia Scientific, LLC
Purity LeadTime Formula PacketSize UnitPrice
97% <2 Days C15H12BrNO2 $224.25$224.25
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