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1150163-97-5 | 1H-Pyrazole-3-carboxylic acid, 5-amino-1-(2-bromophenyl)-4-cyano-, ethyl ester
CAS No: 1150163-97-5 Catalog No: AG000FO1 MDL No:MFCD09835742
Product Description
Catalog Number:
AG000FO1
Chemical Name:
1H-Pyrazole-3-carboxylic acid, 5-amino-1-(2-bromophenyl)-4-cyano-, ethyl ester
CAS Number:
1150163-97-5
Molecular Formula:
C13H11BrN4O2
Molecular Weight:
335.1560
MDL Number:
MFCD09835742
IUPAC Name:
ethyl 5-amino-1-(2-bromophenyl)-4-cyanopyrazole-3-carboxylate
InChI:
InChI=1S/C13H11BrN4O2/c1-2-20-13(19)11-8(7-15)12(16)18(17-11)10-6-4-3-5-9(10)14/h3-6H,2,16H2,1H3
InChI Key:
ZZNNLYKYVWSFEK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nn(c(c1C#N)N)c1ccccc1Br
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.007g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
335.161g/mol
Monoisotopic Mass:
334.007g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
93.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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