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Home > Bromides > 1020722-52-4
1020722-52-4 | 1H-Pyrazole-5-carboxylic acid, 4-bromo-1-ethyl-3-propyl-
CAS No: 1020722-52-4 Catalog No: AG0006JZ MDL No:
Product Description
Catalog Number:
AG0006JZ
Chemical Name:
1H-Pyrazole-5-carboxylic acid, 4-bromo-1-ethyl-3-propyl-
CAS Number:
1020722-52-4
Molecular Formula:
C9H13BrN2O2
Molecular Weight:
261.1157
IUPAC Name:
4-bromo-2-ethyl-5-propylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C9H13BrN2O2/c1-3-5-6-7(10)8(9(13)14)12(4-2)11-6/h3-5H2,1-2H3,(H,13,14)
InChI Key:
INIDRSNKAMWSTC-UHFFFAOYSA-N
SMILES:
CCCc1nn(c(c1Br)C(=O)O)CC
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.016g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.119g/mol
Monoisotopic Mass:
260.016g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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