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Home > Bromides > 1187386-02-2
1187386-02-2 | tert-Butyl 4-(3-bromo-5-methylpyridin-2-yl);piperazine-1-carboxylate
CAS No: 1187386-02-2 Catalog No: AG003UJX MDL No:MFCD12913989
Product Description
Catalog Number:
AG003UJX
Chemical Name:
tert-Butyl 4-(3-bromo-5-methylpyridin-2-yl);piperazine-1-carboxylate
CAS Number:
1187386-02-2
Molecular Formula:
C15H22BrN3O2
Molecular Weight:
356.2581
MDL Number:
MFCD12913989
IUPAC Name:
tert-butyl 4-(3-bromo-5-methylpyridin-2-yl)piperazine-1-carboxylate
InChI:
InChI=1S/C15H22BrN3O2/c1-11-9-12(16)13(17-10-11)18-5-7-19(8-6-18)14(20)21-15(2,3)4/h9-10H,5-8H2,1-4H3
InChI Key:
RTNRNZIQONRTPJ-UHFFFAOYSA-N
SMILES:
Cc1cnc(c(c1)Br)N1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.09g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.264g/mol
Monoisotopic Mass:
355.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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