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4-chloro-2-{[(3-iodophenyl)carbamoyl]amino}benzoic acid

4-chloro-2-{[(3-iodophenyl)carbamoyl]amino}benzoic acid

CAS: 639009-97-5

Formula: C14H10ClIN2O3

SMILES: OC(=O)C1=CC=C(Cl)C=C1NC(=O)NC1=CC=CC(I)=C1

IUPAC: 4-chloro-2-{[(3-iodophenyl)carbamoyl]amino}benzoic acid

InChI: InChI=1S/C14H10ClIN2O3/c15-8-4-5-11(13(19)20)12(6-8)18-14(21)17-10-3-1-2-9(16)7-10/h1-7H,(H,19,20)(H2,17,18,21)

Composition: C (40.36%), H (2.42%), Cl (8.51%), I (30.46%), N (6.72%), O (11.52%)

Molar Mass: 416.6

Atom Count: 31

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 415.94246
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 3
InChIKey HDVLBTNZJJUZTI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 91.48
Topological Polar Surface Area 78.43
Polarizability 33.61
Ring Count 2
Rotatable Bond Count 3

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95% <7 Days 639009-97-5 $342.59-$953.24$342.59$512.33$953.24
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Purity LeadTime CAS PacketSize UnitPrice
95% <6 Days 639009-97-5 $477.25-$1,273.05$477.25$698.05$1,273.05
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