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Home > Bromides > 1245259-89-5
1245259-89-5 | 1H-Pyrazole-4-carboxylic acid, 5-bromo-1-(2-chlorophenyl)-, ethyl ester
CAS No: 1245259-89-5 Catalog No: AG000M58 MDL No:
Product Description
Catalog Number:
AG000M58
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 5-bromo-1-(2-chlorophenyl)-, ethyl ester
CAS Number:
1245259-89-5
Molecular Formula:
C12H10BrClN2O2
Molecular Weight:
329.5770
IUPAC Name:
ethyl 5-bromo-1-(2-chlorophenyl)pyrazole-4-carboxylate
InChI:
InChI=1S/C12H10BrClN2O2/c1-2-18-12(17)8-7-15-16(11(8)13)10-6-4-3-5-9(10)14/h3-7H,2H2,1H3
InChI Key:
OXGBIWRTKLOQOI-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn(c1Br)c1ccccc1Cl
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.961g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.578g/mol
Monoisotopic Mass:
327.961g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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