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3-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-carbaldehyde

3-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-carbaldehyde

CAS: 879996-65-3

Formula: C12H11ClN2O2

SMILES: CCOC1=C(Cl)C=C(C=C1)C1=NNC=C1C=O

IUPAC: 3-(3-chloro-4-ethoxyphenyl)-1H-pyrazole-4-carbaldehyde

InChI: InChI=1S/C12H11ClN2O2/c1-2-17-11-4-3-8(5-10(11)13)12-9(7-16)6-14-15-12/h3-7H,2H2,1H3,(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 3
Hydrogen Bond Donor Count 1
InChIKey RLCRFZUDXDARPS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 67.11
Topological Polar Surface Area 54.98
Polarizability 26.23
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 879996-65-3 $202.14$202.14
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