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128537-47-3 | 1H-Pyrazole-5-carboxylic acid, 4-chloro-1-ethyl-3-methyl-, ethyl ester
CAS No: 128537-47-3 Catalog No: AG000Y63 MDL No:MFCD08459052
Product Description
Catalog Number:
AG000Y63
Chemical Name:
1H-Pyrazole-5-carboxylic acid, 4-chloro-1-ethyl-3-methyl-, ethyl ester
CAS Number:
128537-47-3
Molecular Formula:
C9H13ClN2O2
Molecular Weight:
216.6647
MDL Number:
MFCD08459052
IUPAC Name:
ethyl 4-chloro-2-ethyl-5-methylpyrazole-3-carboxylate
InChI:
InChI=1S/C9H13ClN2O2/c1-4-12-8(9(13)14-5-2)7(10)6(3)11-12/h4-5H2,1-3H3
InChI Key:
BXVLWBAKRHSBAN-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1n(CC)nc(c1Cl)C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.067g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.665g/mol
Monoisotopic Mass:
216.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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