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138907-76-3 | 1H-Pyrazole-4-carboxylic acid, 1-(4-bromophenyl)-, ethyl ester
CAS No: 138907-76-3 Catalog No: AG0019TD MDL No:MFCD16036994
Product Description
Catalog Number:
AG0019TD
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 1-(4-bromophenyl)-, ethyl ester
CAS Number:
138907-76-3
Molecular Formula:
C12H11BrN2O2
Molecular Weight:
295.1319
MDL Number:
MFCD16036994
IUPAC Name:
ethyl 1-(4-bromophenyl)pyrazole-4-carboxylate
InChI:
InChI=1S/C12H11BrN2O2/c1-2-17-12(16)9-7-14-15(8-9)11-5-3-10(13)4-6-11/h3-8H,2H2,1H3
InChI Key:
RHKYGPAJSIAQMP-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn(c1)c1ccc(cc1)Br
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.136g/mol
Monoisotopic Mass:
294g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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