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885271-57-8 | tert-Butyl 3-bromo-5-fluoro-1H-indazole-1-carboxylate
CAS No: 885271-57-8 Catalog No: AG0046XZ MDL No:MFCD06739131
Product Description
Catalog Number:
AG0046XZ
Chemical Name:
tert-Butyl 3-bromo-5-fluoro-1H-indazole-1-carboxylate
CAS Number:
885271-57-8
Molecular Formula:
C12H12BrFN2O2
Molecular Weight:
315.1383
MDL Number:
MFCD06739131
IUPAC Name:
tert-butyl 3-bromo-5-fluoroindazole-1-carboxylate
InChI:
InChI=1S/C12H12BrFN2O2/c1-12(2,3)18-11(17)16-9-5-4-7(14)6-8(9)10(13)15-16/h4-6H,1-3H3
InChI Key:
UNNULYRTIBIRPK-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)c(Br)nn2C(=O)OC(C)(C)C
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.007g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.142g/mol
Monoisotopic Mass:
314.007g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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