Home Halogens methyl 4-chloro-5-methyl-1H-pyrazole-3-carboxylate

methyl 4-chloro-5-methyl-1H-pyrazole-3-carboxylate

CAS No.:
1281872-47-6
Catalog Number:
AG00HRRS
Molecular Formula:
C6H7ClN2O2
Molecular Weight:
174.5850
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Product Description
Catalog Number:
AG00HRRS
Chemical Name:
methyl 4-chloro-5-methyl-1H-pyrazole-3-carboxylate
CAS Number:
1281872-47-6
Molecular Formula:
C6H7ClN2O2
Molecular Weight:
174.5850
IUPAC Name:
methyl 4-chloro-5-methyl-1H-pyrazole-3-carboxylate
InChI:
InChI=1S/C6H7ClN2O2/c1-3-4(7)5(9-8-3)6(10)11-2/h1-2H3,(H,8,9)
InChI Key:
BIYAWSVKAUHNBJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1n[nH]c(c1Cl)C
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.02g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
174.584g/mol
Monoisotopic Mass:
174.02g/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