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Home > Bromides > 1150164-72-9
1150164-72-9 | 1H-Pyrazole-4-carboxylic acid, 1-(5-bromo-2-pyridinyl)-5-methyl-, ethyl ester
CAS No: 1150164-72-9 Catalog No: AG000FOL MDL No:MFCD11855923
Product Description
Catalog Number:
AG000FOL
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 1-(5-bromo-2-pyridinyl)-5-methyl-, ethyl ester
CAS Number:
1150164-72-9
Molecular Formula:
C12H12BrN3O2
Molecular Weight:
310.1466
MDL Number:
MFCD11855923
IUPAC Name:
ethyl 1-(5-bromopyridin-2-yl)-5-methylpyrazole-4-carboxylate
InChI:
InChI=1S/C12H12BrN3O2/c1-3-18-12(17)10-7-15-16(8(10)2)11-5-4-9(13)6-14-11/h4-7H,3H2,1-2H3
InChI Key:
JIUZGPCDKSXHBZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn(c1C)c1ccc(cn1)Br
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.011g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.151g/mol
Monoisotopic Mass:
309.011g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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