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844891-10-7 | 1-Piperazinecarboxylicacid, 4-[(4-bromophenyl)methyl]-, 1,1-dimethylethyl ester
CAS No: 844891-10-7 Catalog No: AG004S06 MDL No:MFCD06659068
Product Description
Catalog Number:
AG004S06
Chemical Name:
1-Piperazinecarboxylicacid, 4-[(4-bromophenyl)methyl]-, 1,1-dimethylethyl ester
CAS Number:
844891-10-7
Molecular Formula:
C16H23BrN2O2
Molecular Weight:
355.2700
MDL Number:
MFCD06659068
IUPAC Name:
tert-butyl 4-[(4-bromophenyl)methyl]piperazine-1-carboxylate
InChI:
InChI=1S/C16H23BrN2O2/c1-16(2,3)21-15(20)19-10-8-18(9-11-19)12-13-4-6-14(17)7-5-13/h4-7H,8-12H2,1-3H3
InChI Key:
JSRUCGIETXRETJ-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)Cc1ccc(cc1)Br)OC(C)(C)C
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.094g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.276g/mol
Monoisotopic Mass:
354.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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