Home Halogens 1H-Pyrazole-3-carboxylic acid, 5-chloro-, methyl ester

1H-Pyrazole-3-carboxylic acid, 5-chloro-, methyl ester

CAS No.:
1810069-85-2
Catalog Number:
AG0022JA
Molecular Formula:
C5H5ClN2O2
Molecular Weight:
160.5584
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Product Description
Catalog Number:
AG0022JA
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 5-chloro-, methyl ester
CAS Number:
1810069-85-2
Molecular Formula:
C5H5ClN2O2
Molecular Weight:
160.5584
MDL Number:
MFCD29037474
IUPAC Name:
methyl 5-chloro-1H-pyrazole-3-carboxylate
InChI:
InChI=1S/C5H5ClN2O2/c1-10-5(9)3-2-4(6)8-7-3/h2H,1H3,(H,7,8)
InChI Key:
ZFNADPKSSZLUBR-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc([nH]n1)Cl
Properties
Complexity:
142  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.004g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
160.557g/mol
Monoisotopic Mass:
160.004g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties