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Home > Bromides > 1197294-66-8
1197294-66-8 | 1-Piperazinecarboxylic acid, 4-(4-bromo-2-thiazolyl)-, 1,1-dimethylethyl ester
CAS No: 1197294-66-8 Catalog No: AG000PK4 MDL No:MFCD13193152
Product Description
Catalog Number:
AG000PK4
Chemical Name:
1-Piperazinecarboxylic acid, 4-(4-bromo-2-thiazolyl)-, 1,1-dimethylethyl ester
CAS Number:
1197294-66-8
Molecular Formula:
C12H18BrN3O2S
Molecular Weight:
348.2592
MDL Number:
MFCD13193152
IUPAC Name:
tert-butyl 4-(4-bromo-1,3-thiazol-2-yl)piperazine-1-carboxylate
InChI:
InChI=1S/C12H18BrN3O2S/c1-12(2,3)18-11(17)16-6-4-15(5-7-16)10-14-9(13)8-19-10/h8H,4-7H2,1-3H3
InChI Key:
PJTYRYGVZASDJM-UHFFFAOYSA-N
SMILES:
Brc1csc(n1)N1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.03g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.259g/mol
Monoisotopic Mass:
347.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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