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Home > Bromides > 1150164-26-3
1150164-26-3 | 1H-Pyrazole-4-carboxylic acid, 1-(5-bromo-2-pyridinyl)-5-cyclopropyl-, methyl ester
CAS No: 1150164-26-3 Catalog No: AG000FNS MDL No:MFCD11855906
Product Description
Catalog Number:
AG000FNS
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 1-(5-bromo-2-pyridinyl)-5-cyclopropyl-, methyl ester
CAS Number:
1150164-26-3
Molecular Formula:
C13H12BrN3O2
Molecular Weight:
322.1573
MDL Number:
MFCD11855906
IUPAC Name:
methyl 1-(5-bromopyridin-2-yl)-5-cyclopropylpyrazole-4-carboxylate
InChI:
InChI=1S/C13H12BrN3O2/c1-19-13(18)10-7-16-17(12(10)8-2-3-8)11-5-4-9(14)6-15-11/h4-8H,2-3H2,1H3
InChI Key:
FJOSEQIDAWCAQV-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnn(c1C1CC1)c1ccc(cn1)Br
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.011g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.162g/mol
Monoisotopic Mass:
321.011g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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