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4-(benzyloxy)-3-bromo-5-fluoroaniline

4-(benzyloxy)-3-bromo-5-fluoroaniline

CAS: 1215206-01-1

Formula: C13H11BrFNO

SMILES: NC1=CC(F)=C(OCC2=CC=CC=C2)C(Br)=C1

IUPAC: 4-(benzyloxy)-3-bromo-5-fluoroaniline

InChI: InChI=1S/C13H11BrFNO/c14-11-6-10(16)7-12(15)13(11)17-8-9-4-2-1-3-5-9/h1-7H,8,16H2

Composition: C (52.73%), H (3.74%), Br (26.98%), F (6.42%), N (4.73%), O (5.40%)

Molar Mass: 296.139

Atom Count: 28

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 295.000805
Formal Charge 0
FSP3 0.08
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey XCHGNLNSKCOJMN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.67
Topological Polar Surface Area 35.25
Polarizability 26.06
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
97% <6 Days 1215206-01-1 $246.10-$1,386.90$246.10$572.70$1,386.90
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