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3-methoxy-4,4'-dinitro-1'H-1,3'-bipyrazole

3-methoxy-4,4'-dinitro-1'H-1,3'-bipyrazole

CAS: 1171733-17-7

Formula: C7H6N6O5

SMILES: COC1=NN(C=C1[N+]([O-])=O)C1=NNC=C1[N+]([O-])=O

IUPAC: 3-methoxy-4,4'-dinitro-1'H-1,3'-bipyrazole

InChI: InChI=1S/C7H6N6O5/c1-18-7-5(13(16)17)3-11(10-7)6-4(12(14)15)2-8-9-6/h2-3H,1H3,(H,8,9)

Composition: C (33.08%), H (2.38%), N (33.07%), O (31.47%)

Molar Mass: 254.162

Atom Count: 24

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 254.039967317
Formal Charge 0
FSP3 0.14
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 1
InChIKey CCGKCSPUPQBCKO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.84
Topological Polar Surface Area 142.01
Polarizability 20.26
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <7 Days 1171733-17-7 $65.00$65.00
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