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3-[4-(adamantan-1-yl)-2-bromophenyl]-1-(3-chlorophenyl)urea

3-[4-(adamantan-1-yl)-2-bromophenyl]-1-(3-chlorophenyl)urea

Formula: C23H24BrClN2O

SMILES: ClC1=CC(NC(=O)NC2=CC=C(C=C2Br)C23CC4CC(CC(C4)C2)C3)=CC=C1

IUPAC: 3-[4-(adamantan-1-yl)-2-bromophenyl]-1-(3-chlorophenyl)urea

InChI: InChI=1S/C23H24BrClN2O/c24-20-9-17(23-11-14-6-15(12-23)8-16(7-14)13-23)4-5-21(20)27-22(28)26-19-3-1-2-18(25)10-19/h1-5,9-10,14-16H,6-8,11-13H2,(H2,26,27,28)

Composition: C (60.08%), H (5.26%), Br (17.38%), Cl (7.71%), N (6.09%), O (3.48%)

Molar Mass: 459.81

Atom Count: 52

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 458.076054
Formal Charge 0
FSP3 0.43
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 2
InChIKey JVFZWOFHCHIKFC-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 119.19
Topological Polar Surface Area 41.13
Polarizability 44.83
Ring Count 5
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C23H24BrClN2O $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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