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85290-72-8 | 1H-Pyrazole-4-carboxylic acid, 5-chloro-1,3-dimethyl-, ethyl ester
CAS No: 85290-72-8 Catalog No: AG004PMX MDL No:
Product Description
Catalog Number:
AG004PMX
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 5-chloro-1,3-dimethyl-, ethyl ester
CAS Number:
85290-72-8
Molecular Formula:
C8H11ClN2O2
Molecular Weight:
202.6381
IUPAC Name:
ethyl 5-chloro-1,3-dimethylpyrazole-4-carboxylate
InChI:
InChI=1S/C8H11ClN2O2/c1-4-13-8(12)6-5(2)10-11(3)7(6)9/h4H2,1-3H3
InChI Key:
RFGXMEKCOSBZKT-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(C)nn(c1Cl)C
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.051g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.638g/mol
Monoisotopic Mass:
202.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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