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Home > Bromides > 1187386-01-1
1187386-01-1 | tert-Butyl 4-(3-bromopyridin-2-yl);piperazine-1-carboxylate
CAS No: 1187386-01-1 Catalog No: AG003UJY MDL No:MFCD12546610
Product Description
Catalog Number:
AG003UJY
Chemical Name:
tert-Butyl 4-(3-bromopyridin-2-yl);piperazine-1-carboxylate
CAS Number:
1187386-01-1
Molecular Formula:
C14H20BrN3O2
Molecular Weight:
342.2315
MDL Number:
MFCD12546610
IUPAC Name:
tert-butyl 4-(3-bromopyridin-2-yl)piperazine-1-carboxylate
InChI:
InChI=1S/C14H20BrN3O2/c1-14(2,3)20-13(19)18-9-7-17(8-10-18)12-11(15)5-4-6-16-12/h4-6H,7-10H2,1-3H3
InChI Key:
FCYPZKOIXIHNRE-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)c1ncccc1Br)OC(C)(C)C
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
341.074g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.237g/mol
Monoisotopic Mass:
341.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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