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

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

CAS No.:
400877-54-5
Catalog Number:
AG01ANIE
Molecular Formula:
C6H7ClN2O2
Molecular Weight:
174.5850
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
1 week
United States
$163
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Product Description
Catalog Number:
AG01ANIE
Chemical Name:
Methyl 4-chloro-1-methyl-1H-pyrazole-5-carboxylate
CAS Number:
400877-54-5
Molecular Formula:
C6H7ClN2O2
Molecular Weight:
174.5850
MDL Number:
MFCD02253778
IUPAC Name:
methyl 4-chloro-2-methylpyrazole-3-carboxylate
InChI:
InChI=1S/C6H7ClN2O2/c1-9-5(6(10)11-2)4(7)3-8-9/h3H,1-2H3
InChI Key:
VIXUYQKOFMXATD-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(Cl)cnn1C
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:
0
Isotope Atom Count:
0
Molecular Weight:
174.584g/mol
Monoisotopic Mass:
174.02g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties