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1020722-40-0 | 1H-Pyrazole-5-carboxylic acid, 4-bromo-1,3-diethyl-, ethyl ester
CAS No: 1020722-40-0 Catalog No: AG0006K2 MDL No:
Product Description
Catalog Number:
AG0006K2
Chemical Name:
1H-Pyrazole-5-carboxylic acid, 4-bromo-1,3-diethyl-, ethyl ester
CAS Number:
1020722-40-0
Molecular Formula:
C10H15BrN2O2
Molecular Weight:
275.1423
IUPAC Name:
ethyl 4-bromo-2,5-diethylpyrazole-3-carboxylate
InChI:
InChI=1S/C10H15BrN2O2/c1-4-7-8(11)9(10(14)15-6-3)13(5-2)12-7/h4-6H2,1-3H3
InChI Key:
KPETXXSZWIYDDW-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1n(CC)nc(c1Br)CC
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.032g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.146g/mol
Monoisotopic Mass:
274.032g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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