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3-chloro-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

3-chloro-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

CAS: 797809-12-2

Formula: C15H9ClF3N3O3

SMILES: COC1=CC=CC(=C1)C1=NC2=C(Cl)C(=NN2C(=C1)C(F)(F)F)C(O)=O

IUPAC: 3-chloro-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

InChI: InChI=1S/C15H9ClF3N3O3/c1-25-8-4-2-3-7(5-8)9-6-10(15(17,18)19)22-13(20-9)11(16)12(21-22)14(23)24/h2-6H,1H3,(H,23,24)

Composition: C (48.47%), H (2.44%), Cl (9.54%), F (15.33%), N (11.31%), O (12.91%)

Molar Mass: 371.7

Atom Count: 34

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 371.0284534
Formal Charge 0
FSP3 0.13
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey TZYRJYXQFGWBLR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 92.54
Topological Polar Surface Area 76.72
Polarizability 31.41
Ring Count 3
Rotatable Bond Count 4

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Kinentia Biosciences LLC
Purity LeadTime CAS PacketSize UnitPrice
95% <14 Days 797809-12-2 $243.81$243.81
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Crea-Chim UAB
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95% <7 Days 797809-12-2 $75.40$75.40
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