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Home > Bromides > 1020722-42-2
1020722-42-2 | 1H-Pyrazole-5-carboxylic acid, 4-bromo-1,3-diethyl-
CAS No: 1020722-42-2 Catalog No: AG0006K1 MDL No:
Product Description
Catalog Number:
AG0006K1
Chemical Name:
1H-Pyrazole-5-carboxylic acid, 4-bromo-1,3-diethyl-
CAS Number:
1020722-42-2
Molecular Formula:
C8H11BrN2O2
Molecular Weight:
247.0891
IUPAC Name:
4-bromo-2,5-diethylpyrazole-3-carboxylic acid
InChI:
InChI=1S/C8H11BrN2O2/c1-3-5-6(9)7(8(12)13)11(4-2)10-5/h3-4H2,1-2H3,(H,12,13)
InChI Key:
ZVZOMNANFGCMHN-UHFFFAOYSA-N
SMILES:
CCc1nn(c(c1Br)C(=O)O)CC
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.092g/mol
Monoisotopic Mass:
246g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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