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Home > Bromides > 1269293-79-9
1269293-79-9 | 1H-Pyrazole-4-carboxylic acid, 5-broMo-1-(2-pyridinyl)-, ethyl ester
CAS No: 1269293-79-9 Catalog No: AG000WE9 MDL No:MFCD17215113
Product Description
Catalog Number:
AG000WE9
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 5-broMo-1-(2-pyridinyl)-, ethyl ester
CAS Number:
1269293-79-9
Molecular Formula:
C11H10BrN3O2
Molecular Weight:
296.1200
MDL Number:
MFCD17215113
IUPAC Name:
ethyl 5-bromo-1-pyridin-2-ylpyrazole-4-carboxylate
InChI:
InChI=1S/C11H10BrN3O2/c1-2-17-11(16)8-7-14-15(10(8)12)9-5-3-4-6-13-9/h3-7H,2H2,1H3
InChI Key:
KGVGBIHSZVJUJH-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn(c1Br)c1ccccn1
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.996g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.124g/mol
Monoisotopic Mass:
294.996g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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