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3-chloro-N-(2,5-dimethylphenyl)propanamide

3-chloro-N-(2,5-dimethylphenyl)propanamide

CAS: 39494-07-0

Formula: C11H14ClNO

SMILES: CC1=CC(NC(=O)CCCl)=C(C)C=C1

IUPAC: 3-chloro-N-(2,5-dimethylphenyl)propanamide

InChI: InChI=1S/C11H14ClNO/c1-8-3-4-9(2)10(7-8)13-11(14)5-6-12/h3-4,7H,5-6H2,1-2H3,(H,13,14)

Composition: C (62.41%), H (6.67%), Cl (16.75%), N (6.62%), O (7.56%)

Molar Mass: 211.69

Atom Count: 28

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 211.0763918
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey RINULPAFJWFTTK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 60.46
Topological Polar Surface Area 29.1
Polarizability 22.4
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <4 Days 39494-07-0 $58.65-$232.30$58.65$232.30
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