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Home > Bromides > 1150164-70-7
1150164-70-7 | 1H-Pyrazole-4-carboxylic acid, 1-(5-bromo-2-pyridinyl)-5-(2-chlorophenyl)-, methyl ester
CAS No: 1150164-70-7 Catalog No: AG000FOM MDL No:MFCD11855922
Product Description
Catalog Number:
AG000FOM
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 1-(5-bromo-2-pyridinyl)-5-(2-chlorophenyl)-, methyl ester
CAS Number:
1150164-70-7
Molecular Formula:
C16H11BrClN3O2
Molecular Weight:
392.6344
MDL Number:
MFCD11855922
IUPAC Name:
methyl 1-(5-bromopyridin-2-yl)-5-(2-chlorophenyl)pyrazole-4-carboxylate
InChI:
InChI=1S/C16H11BrClN3O2/c1-23-16(22)12-9-20-21(14-7-6-10(17)8-19-14)15(12)11-4-2-3-5-13(11)18/h2-9H,1H3
InChI Key:
HDUIBDOFCKXMDQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnn(c1c1ccccc1Cl)c1ccc(cn1)Br
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.972g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
392.637g/mol
Monoisotopic Mass:
390.972g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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