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methyl 3-tert-butyl-1H-pyrazole-4-carboxylate

methyl 3-tert-butyl-1H-pyrazole-4-carboxylate

CAS: 1017782-45-4

Formula: C9H14N2O2

SMILES: COC(=O)C1=CNN=C1C(C)(C)C

IUPAC: methyl 3-tert-butyl-1H-pyrazole-4-carboxylate

InChI: InChI=1S/C9H14N2O2/c1-9(2,3)7-6(5-10-11-7)8(12)13-4/h5H,1-4H3,(H,10,11)

Composition: C (59.32%), H (7.74%), N (15.37%), O (17.56%)

Molar Mass: 182.223

Atom Count: 27

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 182.105527699
Formal Charge 0
FSP3 0.56
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey RBCJMGWABQNGAM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 50.06
Topological Polar Surface Area 54.98
Polarizability 18.87
Ring Count 1
Rotatable Bond Count 3

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Key Organics Ltd
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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 1017782-45-4 $51.35-$674.07$51.35$63.37$86.31$143.12$225.06$674.07
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AA BLOCKS INC
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97% <6 Days 1017782-45-4 $355.35-$1,169.55$355.35$1,169.55
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