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3,4-dichloro-N-(pentan-2-yl)benzamide

3,4-dichloro-N-(pentan-2-yl)benzamide

CAS: 7497-07-6

Formula: C12H15Cl2NO

SMILES: CCCC(C)NC(=O)C1=CC=C(Cl)C(Cl)=C1

IUPAC: 3,4-dichloro-N-(pentan-2-yl)benzamide

InChI: InChI=1/C12H15Cl2NO/c1-3-4-8(2)15-12(16)9-5-6-10(13)11(14)7-9/h5-8H,3-4H2,1-2H3,(H,15,16)

Composition: C (55.40%), H (5.81%), Cl (27.25%), N (5.38%), O (6.15%)

Molar Mass: 260.16

Atom Count: 31

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 259.0530695
Formal Charge 0
FSP3 0.42
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey ARDYECYBETXQFD-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.94
Topological Polar Surface Area 29.1
Polarizability 26.16
Ring Count 1
Rotatable Bond Count 4

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90% <16 Days 7497-07-6 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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