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2-{[3-(diethylcarbamoyl)phenyl]carbamoyl}benzoic acid

2-{[3-(diethylcarbamoyl)phenyl]carbamoyl}benzoic acid

CAS: 940223-00-7

Formula: C19H20N2O4

SMILES: CCN(CC)C(=O)C1=CC=CC(NC(=O)C2=C(C=CC=C2)C(O)=O)=C1

IUPAC: 2-{[3-(diethylcarbamoyl)phenyl]carbamoyl}benzoic acid

InChI: InChI=1S/C19H20N2O4/c1-3-21(4-2)18(23)13-8-7-9-14(12-13)20-17(22)15-10-5-6-11-16(15)19(24)25/h5-12H,3-4H2,1-2H3,(H,20,22)(H,24,25)

Composition: C (67.05%), H (5.92%), N (8.23%), O (18.80%)

Molar Mass: 340.379

Atom Count: 45

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 340.142307132
Formal Charge 0
FSP3 0.21
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey WYROCURWOBTUSS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 97.22
Topological Polar Surface Area 86.71
Polarizability 35.48
Ring Count 2
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 940223-00-7 $141.17-$217.11$141.17$217.11
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