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1-bromo-3-fluoro-2-methoxy-5-nitrobenzene

1-bromo-3-fluoro-2-methoxy-5-nitrobenzene

CAS: 875664-36-1

Formula: C7H5BrFNO3

SMILES: COC1=C(F)C=C(C=C1Br)[N+]([O-])=O

IUPAC: 1-bromo-3-fluoro-2-methoxy-5-nitrobenzene

InChI: InChI=1S/C7H5BrFNO3/c1-13-7-5(8)2-4(10(11)12)3-6(7)9/h2-3H,1H3

Composition: C (33.63%), H (2.02%), Br (31.96%), F (7.60%), N (5.60%), O (19.20%)

Molar Mass: 250.023

Atom Count: 18

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 248.943684
Formal Charge 0
FSP3 0.14
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey FNJMNFQCIBHJBZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.68
Topological Polar Surface Area 52.37
Polarizability 17.67
Ring Count 1
Rotatable Bond Count 2

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Purity (%)
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Purity LeadTime CAS PacketSize UnitPrice
97% <6 Days 875664-36-1 $138.00-$1,305.25$138.00$218.50$491.05$1,305.25
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