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3-carbamoyl-5-nitrobenzoic acid

3-carbamoyl-5-nitrobenzoic acid

Formula: C8H6N2O5

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

IUPAC: 3-carbamoyl-5-nitrobenzoic acid

InChI: InChI=1S/C8H6N2O5/c9-7(11)4-1-5(8(12)13)3-6(2-4)10(14)15/h1-3H,(H2,9,11)(H,12,13)

Composition: C (45.72%), H (2.88%), N (13.33%), O (38.07%)

Molar Mass: 210.145

Atom Count: 21

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 210.027671301
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey BDXFKMQTIGVLEU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.71
Topological Polar Surface Area 123.53
Polarizability 17.61
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
97% <7 Days C8H6N2O5 $157.08-$2,335.63$157.08$302.01$718.08$2,335.63
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