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N-(3-chloro-4-fluorophenyl)-3-methylbutanamide

N-(3-chloro-4-fluorophenyl)-3-methylbutanamide

Formula: C11H13ClFNO

SMILES: CC(C)CC(=O)NC1=CC=C(F)C(Cl)=C1

IUPAC: N-(3-chloro-4-fluorophenyl)-3-methylbutanamide

InChI: InChI=1S/C11H13ClFNO/c1-7(2)5-11(15)14-8-3-4-10(13)9(12)6-8/h3-4,6-7H,5H2,1-2H3,(H,14,15)

Composition: C (57.52%), H (5.71%), Cl (15.43%), F (8.27%), N (6.10%), O (6.97%)

Molar Mass: 229.68

Atom Count: 28

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 229.0669699
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey UCRUPDLBRNQIHP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.72
Topological Polar Surface Area 29.1
Polarizability 22.34
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C11H13ClFNO $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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