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Home > Bromides > 1245227-17-1
1245227-17-1 | 1H-Pyrazole-4-carboxylic acid, 5-bromo-1-(3-fluorophenyl)-, ethyl ester
CAS No: 1245227-17-1 Catalog No: AG000M5D MDL No:MFCD17206198
Product Description
Catalog Number:
AG000M5D
Chemical Name:
1H-Pyrazole-4-carboxylic acid, 5-bromo-1-(3-fluorophenyl)-, ethyl ester
CAS Number:
1245227-17-1
Molecular Formula:
C12H10BrFN2O2
Molecular Weight:
313.1224
MDL Number:
MFCD17206198
IUPAC Name:
ethyl 5-bromo-1-(3-fluorophenyl)pyrazole-4-carboxylate
InChI:
InChI=1S/C12H10BrFN2O2/c1-2-18-12(17)10-7-15-16(11(10)13)9-5-3-4-8(14)6-9/h3-7H,2H2,1H3
InChI Key:
JHGLYRLEMXLTRC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnn(c1Br)c1cccc(c1)F
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.991g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.126g/mol
Monoisotopic Mass:
311.991g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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