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ethyl 3-(chloromethyl)-1H-pyrazole-4-carboxylate

ethyl 3-(chloromethyl)-1H-pyrazole-4-carboxylate

CAS: 137487-60-6

Formula: C7H9ClN2O2

SMILES: CCOC(=O)C1=CNN=C1CCl

IUPAC: ethyl 3-(chloromethyl)-1H-pyrazole-4-carboxylate

InChI: InChI=1S/C7H9ClN2O2/c1-2-12-7(11)5-4-9-10-6(5)3-8/h4H,2-3H2,1H3,(H,9,10)

Composition: C (44.58%), H (4.81%), Cl (18.80%), N (14.85%), O (16.97%)

Molar Mass: 188.61

Atom Count: 21

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 188.0352552
Formal Charge 0
FSP3 0.43
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey SJOBUQJQZHZTPG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 45.86
Topological Polar Surface Area 54.98
Polarizability 17.19
Ring Count 1
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 137487-60-6 $201.25-$603.75$201.25$603.75
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