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3-{[(4-nitrophenyl)carbamoyl]amino}benzoic acid

3-{[(4-nitrophenyl)carbamoyl]amino}benzoic acid

Formula: C14H11N3O5

SMILES: OC(=O)C1=CC(NC(=O)NC2=CC=C(C=C2)[N+]([O-])=O)=CC=C1

IUPAC: 3-{[(4-nitrophenyl)carbamoyl]amino}benzoic acid

InChI: InChI=1S/C14H11N3O5/c18-13(19)9-2-1-3-11(8-9)16-14(20)15-10-4-6-12(7-5-10)17(21)22/h1-8H,(H,18,19)(H2,15,16,20)

Composition: C (55.82%), H (3.68%), N (13.95%), O (26.55%)

Molar Mass: 301.258

Atom Count: 33

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 301.069870466
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 3
InChIKey UQCVAAQBGNNPOX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.63
Topological Polar Surface Area 121.57
Polarizability 28.38
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C14H11N3O5 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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