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Home > Bromides > 1150164-28-5
1150164-28-5 | 1H-Pyrazole-4-carboxylic acid, 1-(5-bromo-2-pyridinyl)-5-(1,1-dimethylethyl)-, methyl ester
CAS No: 1150164-28-5 Catalog No: AG000FNR MDL No:MFCD11855907
Product Description
Catalog Number:
AG000FNR
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 1-(5-bromo-2-pyridinyl)-5-(1,1-dimethylethyl)-, methyl ester
CAS Number:
1150164-28-5
Molecular Formula:
C14H16BrN3O2
Molecular Weight:
338.1997
MDL Number:
MFCD11855907
IUPAC Name:
methyl 1-(5-bromopyridin-2-yl)-5-tert-butylpyrazole-4-carboxylate
InChI:
InChI=1S/C14H16BrN3O2/c1-14(2,3)12-10(13(19)20-4)8-17-18(12)11-6-5-9(15)7-16-11/h5-8H,1-4H3
InChI Key:
SIWZTEGEKNCSPV-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnn(c1C(C)(C)C)c1ccc(cn1)Br
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.043g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.205g/mol
Monoisotopic Mass:
337.043g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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