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Home > Bromides > 1020722-48-8
1020722-48-8 | 1H-Pyrazole-5-carboxylic acid, 4-bromo-1-ethyl-3-propyl-, ethyl ester
CAS No: 1020722-48-8 Catalog No: AG0006K0 MDL No:
Product Description
Catalog Number:
AG0006K0
Chemical Name:
1H-Pyrazole-5-carboxylic acid, 4-bromo-1-ethyl-3-propyl-, ethyl ester
CAS Number:
1020722-48-8
Molecular Formula:
C11H17BrN2O2
Molecular Weight:
289.1689
IUPAC Name:
ethyl 4-bromo-2-ethyl-5-propylpyrazole-3-carboxylate
InChI:
InChI=1S/C11H17BrN2O2/c1-4-7-8-9(12)10(11(15)16-6-3)14(5-2)13-8/h4-7H2,1-3H3
InChI Key:
YCHHDTDFVAAEHA-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1n(CC)nc(c1Br)CCC
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.047g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.173g/mol
Monoisotopic Mass:
288.047g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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