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137487-60-6 | 1H-Pyrazole-4-carboxylic acid, 3-(chloromethyl)-, ethyl ester
CAS No: 137487-60-6 Catalog No: AG0013CV MDL No:
Product Description
Catalog Number:
AG0013CV
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 3-(chloromethyl)-, ethyl ester
CAS Number:
137487-60-6
Molecular Formula:
C7H9ClN2O2
Molecular Weight:
188.6116
IUPAC Name:
ethyl 5-(chloromethyl)-1H-pyrazole-4-carboxylate
InChI:
InChI=1S/C7H9ClN2O2/c1-2-12-7(11)5-4-9-10-6(5)3-8/h4H,2-3H2,1H3,(H,9,10)
InChI Key:
SJOBUQJQZHZTPG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c[nH]nc1CCl
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.035g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
188.611g/mol
Monoisotopic Mass:
188.035g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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