Home Halogens methyl 4-bromo-1-ethyl-1H-pyrazole-5-carboxylate

methyl 4-bromo-1-ethyl-1H-pyrazole-5-carboxylate

CAS No.:
1185320-26-6
Catalog Number:
AG008V5Q
Molecular Formula:
C7H9BrN2O2
Molecular Weight:
233.0626
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Purity
Availability
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Price(USD)
Quantity
  
1g
95%
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United States
$226
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Product Description
Catalog Number:
AG008V5Q
Chemical Name:
methyl 4-bromo-1-ethyl-1H-pyrazole-5-carboxylate
CAS Number:
1185320-26-6
Molecular Formula:
C7H9BrN2O2
Molecular Weight:
233.0626
MDL Number:
MFCD12827498
IUPAC Name:
methyl 4-bromo-2-ethylpyrazole-3-carboxylate
InChI:
InChI=1S/C7H9BrN2O2/c1-3-10-6(7(11)12-2)5(8)4-9-10/h4H,3H2,1-2H3
InChI Key:
HLFKRBUAKZJSQP-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(Br)cnn1CC
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.985g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.065g/mol
Monoisotopic Mass:
231.985g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties