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1-{[(3,5-dichlorophenyl)carbamoyl]methyl}-3,3,5-trimethylcyclohexane-1-carboxylic acid

1-{[(3,5-dichlorophenyl)carbamoyl]methyl}-3,3,5-trimethylcyclohexane-1-carboxylic acid

CAS: 439111-39-4

Formula: C18H23Cl2NO3

SMILES: CC1CC(C)(C)CC(CC(=O)NC2=CC(Cl)=CC(Cl)=C2)(C1)C(O)=O

IUPAC: 1-{[(3,5-dichlorophenyl)carbamoyl]methyl}-3,3,5-trimethylcyclohexane-1-carboxylic acid

InChI: InChI=1/C18H23Cl2NO3/c1-11-7-17(2,3)10-18(8-11,16(23)24)9-15(22)21-14-5-12(19)4-13(20)6-14/h4-6,11H,7-10H2,1-3H3,(H,21,22)(H,23,24)

Composition: C (58.07%), H (6.23%), Cl (19.04%), N (3.76%), O (12.89%)

Molar Mass: 372.29

Atom Count: 47

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 371.105499
Formal Charge 0
FSP3 0.56
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey XROBQVICXLWESG-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 96.07
Topological Polar Surface Area 66.4
Polarizability 37.21
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 439111-39-4 $51.35-$86.31$51.35$63.37$86.31
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