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1269292-57-0 | 1H-Pyrazole-4-carboxylic acid, 5-broMo-1-(2-pyriMidinyl)-, ethyl ester
CAS No: 1269292-57-0 Catalog No: AG000TKJ MDL No:MFCD17215100
Product Description
Catalog Number:
AG000TKJ
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 5-broMo-1-(2-pyriMidinyl)-, ethyl ester
CAS Number:
1269292-57-0
Molecular Formula:
C10H9BrN4O2
Molecular Weight:
297.1081
MDL Number:
MFCD17215100
IUPAC Name:
ethyl 5-bromo-1-pyrimidin-2-ylpyrazole-4-carboxylate
InChI:
InChI=1S/C10H9BrN4O2/c1-2-17-9(16)7-6-14-15(8(7)11)10-12-4-3-5-13-10/h3-6H,2H2,1H3
InChI Key:
WHTZCXXAXMJGFF-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn(c1Br)c1ncccn1
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.991g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.112g/mol
Monoisotopic Mass:
295.991g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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