Home Halogens Ethyl 4-bromo-5-methyl-1H-pyrazole-3-carboxylate

Ethyl 4-bromo-5-methyl-1H-pyrazole-3-carboxylate

CAS No.:
6076-14-8
Catalog Number:
AG00EL2N
Molecular Formula:
C7H9BrN2O2
Molecular Weight:
233.0626
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Product Description
Catalog Number:
AG00EL2N
Chemical Name:
Ethyl 4-bromo-5-methyl-1H-pyrazole-3-carboxylate
CAS Number:
6076-14-8
Molecular Formula:
C7H9BrN2O2
Molecular Weight:
233.0626
MDL Number:
MFCD11054303
IUPAC Name:
ethyl 4-bromo-5-methyl-1H-pyrazole-3-carboxylate
InChI:
InChI=1S/C7H9BrN2O2/c1-3-12-7(11)6-5(8)4(2)9-10-6/h3H2,1-2H3,(H,9,10)
InChI Key:
GNTNGOQWBKVXKE-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1n[nH]c(c1Br)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:
231.985g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
233.065g/mol
Monoisotopic Mass:
231.985g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties