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4-bromo-3-ethoxy-5-fluorobenzonitrile

4-bromo-3-ethoxy-5-fluorobenzonitrile

CAS: 2387026-56-2

Formula: C9H7BrFNO

SMILES: CCOC1=CC(=CC(F)=C1Br)C#N

IUPAC: 4-bromo-3-ethoxy-5-fluorobenzonitrile

InChI: InChI=1S/C9H7BrFNO/c1-2-13-8-4-6(5-12)3-7(11)9(8)10/h3-4H,2H2,1H3

Composition: C (44.29%), H (2.89%), Br (32.74%), F (7.78%), N (5.74%), O (6.56%)

Molar Mass: 244.063

Atom Count: 20

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 242.969505
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey WXTLIOPHXHBUMM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.83
Topological Polar Surface Area 33.02
Polarizability 19.18
Ring Count 1
Rotatable Bond Count 2

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Purity (%)
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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 2387026-56-2 $457.70-$3,312.00$457.70$687.70$1,127.00$1,932.00$3,312.00
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