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3-[(4-bromophenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid

3-[(4-bromophenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid

Formula: C16H20BrNO3

SMILES: CC1(C)C(CCC1(C)C(O)=O)C(=O)NC1=CC=C(Br)C=C1

IUPAC: 3-[(4-bromophenyl)carbamoyl]-1,2,2-trimethylcyclopentane-1-carboxylic acid

InChI: InChI=1/C16H20BrNO3/c1-15(2)12(8-9-16(15,3)14(20)21)13(19)18-11-6-4-10(17)5-7-11/h4-7,12H,8-9H2,1-3H3,(H,18,19)(H,20,21)

Composition: C (54.25%), H (5.69%), Br (22.56%), N (3.95%), O (13.55%)

Molar Mass: 354.244

Atom Count: 41

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 353.062657
Formal Charge 0
FSP3 0.5
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey NAQKTSMBPWSBHC-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 84.91
Topological Polar Surface Area 66.4
Polarizability 32.55
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H20BrNO3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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