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methyl N-(2-bromo-6-fluoro-3-methoxyphenyl)carbamate

methyl N-(2-bromo-6-fluoro-3-methoxyphenyl)carbamate

Formula: C9H9BrFNO3

SMILES: COC(=O)NC1=C(Br)C(OC)=CC=C1F

IUPAC: methyl N-(2-bromo-6-fluoro-3-methoxyphenyl)carbamate

InChI: InChI=1S/C9H9BrFNO3/c1-14-6-4-3-5(11)8(7(6)10)12-9(13)15-2/h3-4H,1-2H3,(H,12,13)

Composition: C (38.87%), H (3.26%), Br (28.73%), F (6.83%), N (5.04%), O (17.26%)

Molar Mass: 278.077

Atom Count: 24

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 276.974984
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey YSBVDPGTUPUPFJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 56.85
Topological Polar Surface Area 47.56
Polarizability 21.25
Ring Count 1
Rotatable Bond Count 3

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Chemcia Scientific, LLC
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Purity LeadTime Formula PacketSize UnitPrice
95% <2 Days C9H9BrFNO3 $258.75-$1,144.25$258.75$569.25$1,144.25
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