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5-nitro-1H-1,3-benzodiazole-2-carbaldehyde

5-nitro-1H-1,3-benzodiazole-2-carbaldehyde

CAS: 1260834-38-5

Formula: C8H5N3O3

SMILES: [O-][N+](=O)C1=CC=C2NC(C=O)=NC2=C1

IUPAC: 5-nitro-1H-1,3-benzodiazole-2-carbaldehyde

InChI: InChI=1S/C8H5N3O3/c12-4-8-9-6-2-1-5(11(13)14)3-7(6)10-8/h1-4H,(H,9,10)

Composition: C (50.27%), H (2.64%), N (21.98%), O (25.11%)

Molar Mass: 191.146

Atom Count: 19

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 191.033091033
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey ULXDCWWSZPVUJI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.34
Topological Polar Surface Area 88.89
Polarizability 18.45
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
96% <2 Days 1260834-38-5 $342.70-$5,612.00$342.70$457.70$687.70$966.00$1,587.00$5,612.00
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