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1172229-72-9 | 1H-Pyrazole-3-carboxylic acid, 5-chloro-1-methyl-, ethyl ester
CAS No: 1172229-72-9 Catalog No: AG000DXX MDL No:MFCD10699191
Product Description
Catalog Number:
AG000DXX
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 5-chloro-1-methyl-, ethyl ester
CAS Number:
1172229-72-9
Molecular Formula:
C7H9ClN2O2
Molecular Weight:
188.6116
MDL Number:
MFCD10699191
IUPAC Name:
ethyl 5-chloro-1-methylpyrazole-3-carboxylate
InChI:
InChI=1S/C7H9ClN2O2/c1-3-12-7(11)5-4-6(8)10(2)9-5/h4H,3H2,1-2H3
InChI Key:
NZXVQPKDTOICGR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nn(c(c1)Cl)C
Properties
Complexity:
177
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:
0
Isotope Atom Count:
0
Molecular Weight:
188.611g/mol
Monoisotopic Mass:
188.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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