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Home > Bromides > 1253654-37-3
1253654-37-3 | Thiazolo[4,5-c]pyridine-5(4H)-carboxylic acid, 2-bromo-6,7-dihydro-, 1,1-dimethylethyl ester
CAS No: 1253654-37-3 Catalog No: AG000NJF MDL No:MFCD17215781
Product Description
Catalog Number:
AG000NJF
Chemical Name:
Thiazolo[4,5-c]pyridine-5(4H)-carboxylic acid, 2-bromo-6,7-dihydro-, 1,1-dimethylethyl ester
CAS Number:
1253654-37-3
Molecular Formula:
C11H15BrN2O2S
Molecular Weight:
319.2180
MDL Number:
MFCD17215781
IUPAC Name:
tert-butyl 2-bromo-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine-5-carboxylate
InChI:
InChI=1S/C11H15BrN2O2S/c1-11(2,3)16-10(15)14-5-4-8-7(6-14)13-9(12)17-8/h4-6H2,1-3H3
InChI Key:
KIUXKAOCQBIEAI-UHFFFAOYSA-N
SMILES:
O=C(N1CCc2c(C1)nc(s2)Br)OC(C)(C)C
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.004g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.217g/mol
Monoisotopic Mass:
318.004g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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