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128537-48-4 | 1H-Pyrazole-5-carboxylic acid, 4-bromo-3-ethyl-1-methyl-
CAS No: 128537-48-4 Catalog No: AG000Y62 MDL No:MFCD08459058
Product Description
Catalog Number:
AG000Y62
Chemical Name:
1H-Pyrazole-5-carboxylic acid, 4-bromo-3-ethyl-1-methyl-
CAS Number:
128537-48-4
Molecular Formula:
C7H9BrN2O2
Molecular Weight:
233.0626
MDL Number:
MFCD08459058
IUPAC Name:
4-bromo-5-ethyl-2-methylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C7H9BrN2O2/c1-3-4-5(8)6(7(11)12)10(2)9-4/h3H2,1-2H3,(H,11,12)
InChI Key:
LFPRWNRZQORQRI-UHFFFAOYSA-N
SMILES:
CCc1nn(c(c1Br)C(=O)O)C
Properties
Complexity:
188
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:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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