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4-bromo-2-methoxy-5-nitrobenzonitrile

4-bromo-2-methoxy-5-nitrobenzonitrile

Formula: C8H5BrN2O3

SMILES: COC1=C(C=C(C(Br)=C1)[N+]([O-])=O)C#N

IUPAC: 4-bromo-2-methoxy-5-nitrobenzonitrile

InChI: InChI=1S/C8H5BrN2O3/c1-14-8-3-6(9)7(11(12)13)2-5(8)4-10/h2-3H,1H3

Composition: C (37.38%), H (1.96%), Br (31.09%), N (10.90%), O (18.67%)

Molar Mass: 257.043

Atom Count: 19

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 255.948355
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey USWOLTSHVOOHAU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.19
Topological Polar Surface Area 76.16
Polarizability 19.63
Ring Count 1
Rotatable Bond Count 2

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Chemcia Scientific, LLC
Purity LeadTime Formula PacketSize UnitPrice
97% <2 Days C8H5BrN2O3 $235.75-$1,207.50$235.75$339.25$799.25$1,207.50
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