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1150164-37-6 | 1H-Pyrazole-4-carboxylic acid, 1-(6-chloro-2-pyridinyl)-5-(1,1-dimethylethyl)-, methyl ester
CAS No: 1150164-37-6 Catalog No: AG000FNO MDL No:MFCD11855910
Product Description
Catalog Number:
AG000FNO
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 1-(6-chloro-2-pyridinyl)-5-(1,1-dimethylethyl)-, methyl ester
CAS Number:
1150164-37-6
Molecular Formula:
C14H16ClN3O2
Molecular Weight:
293.7487
MDL Number:
MFCD11855910
IUPAC Name:
methyl 5-tert-butyl-1-(6-chloropyridin-2-yl)pyrazole-4-carboxylate
InChI:
InChI=1S/C14H16ClN3O2/c1-14(2,3)12-9(13(19)20-4)8-16-18(12)11-7-5-6-10(15)17-11/h5-8H,1-4H3
InChI Key:
DPWMHTOIURWYFO-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnn(c1C(C)(C)C)c1cccc(n1)Cl
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.093g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.751g/mol
Monoisotopic Mass:
293.093g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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