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128537-49-5 | 1H-Pyrazole-5-carboxylic acid, 4-chloro-1-methyl-3-propyl-
CAS No: 128537-49-5 Catalog No: AG000Y61 MDL No:
Product Description
Catalog Number:
AG000Y61
Chemical Name:
1H-Pyrazole-5-carboxylic acid, 4-chloro-1-methyl-3-propyl-
CAS Number:
128537-49-5
Molecular Formula:
C8H11ClN2O2
Molecular Weight:
202.6381
IUPAC Name:
4-chloro-2-methyl-5-propylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C8H11ClN2O2/c1-3-4-5-6(9)7(8(12)13)11(2)10-5/h3-4H2,1-2H3,(H,12,13)
InChI Key:
QCASQFHYPGEADG-UHFFFAOYSA-N
SMILES:
CCCc1nn(c(c1Cl)C(=O)O)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:
1
Isotope Atom Count:
0
Molecular Weight:
202.638g/mol
Monoisotopic Mass:
202.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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