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methyl N-(2-fluoro-4-formylphenyl)carbamate

methyl N-(2-fluoro-4-formylphenyl)carbamate

Formula: C9H8FNO3

SMILES: COC(=O)NC1=C(F)C=C(C=O)C=C1

IUPAC: methyl N-(2-fluoro-4-formylphenyl)carbamate

InChI: InChI=1S/C9H8FNO3/c1-14-9(13)11-8-3-2-6(5-12)4-7(8)10/h2-5H,1H3,(H,11,13)

Composition: C (54.83%), H (4.09%), F (9.64%), N (7.10%), O (24.34%)

Molar Mass: 197.165

Atom Count: 22

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 197.048821285
Formal Charge 0
FSP3 0.11
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey KXKOUXOLJZFAOI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.34
Topological Polar Surface Area 55.4
Polarizability 17.6
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
95% <5 Days C9H8FNO3 $554.00-$2,860.00$554.00$1,540.00$2,860.00
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