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128537-44-0 | 1H-Pyrazole-5-carboxylic acid, 4-chloro-1-methyl-3-(2-methylpropyl)-, ethyl ester
CAS No: 128537-44-0 Catalog No: AG000Y64 MDL No:
Product Description
Catalog Number:
AG000Y64
Chemical Name:
1H-Pyrazole-5-carboxylic acid, 4-chloro-1-methyl-3-(2-methylpropyl)-, ethyl ester
CAS Number:
128537-44-0
Molecular Formula:
C11H17ClN2O2
Molecular Weight:
244.7179
IUPAC Name:
ethyl 4-chloro-2-methyl-5-(2-methylpropyl)pyrazole-3-carboxylate
InChI:
InChI=1S/C11H17ClN2O2/c1-5-16-11(15)10-9(12)8(6-7(2)3)13-14(10)4/h7H,5-6H2,1-4H3
InChI Key:
GUECSZIEWZBYPF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1n(C)nc(c1Cl)CC(C)C
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.098g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.719g/mol
Monoisotopic Mass:
244.098g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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