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methyl 5-(4-chloro-3-methylphenyl)-1H-pyrazole-3-carboxylate

methyl 5-(4-chloro-3-methylphenyl)-1H-pyrazole-3-carboxylate

CAS: 192702-05-9

Formula: C12H11ClN2O2

SMILES: COC(=O)C1=NNC(=C1)C1=CC(C)=C(Cl)C=C1

IUPAC: methyl 5-(4-chloro-3-methylphenyl)-1H-pyrazole-3-carboxylate

InChI: InChI=1S/C12H11ClN2O2/c1-7-5-8(3-4-9(7)13)10-6-11(15-14-10)12(16)17-2/h3-6H,1-2H3,(H,14,15)

Composition: C (57.50%), H (4.42%), Cl (14.14%), N (11.18%), O (12.76%)

Molar Mass: 250.68

Atom Count: 28

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 250.0509053
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey AWYAGOWXRPDDJE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.26
Topological Polar Surface Area 54.98
Polarizability 26.14
Ring Count 2
Rotatable Bond Count 3

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Purity (%)
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Key Organics Ltd
Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 192702-05-9 $51.35-$359.43$51.35$63.37$86.31$225.06$359.43
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