200,000+ products from a single source!
sales@angenechem.com
Home > Bromides > 1163126-69-9
1163126-69-9 | 1-Piperazinecarboxylic acid, 4-(2-bromo-4-nitrophenyl)-, 1,1-dimethylethyl ester
CAS No: 1163126-69-9 Catalog No: AG000C5S MDL No:MFCD11042161
Product Description
Catalog Number:
AG000C5S
Chemical Name:
1-Piperazinecarboxylic acid, 4-(2-bromo-4-nitrophenyl)-, 1,1-dimethylethyl ester
CAS Number:
1163126-69-9
Molecular Formula:
C15H20BrN3O4
Molecular Weight:
386.2410
MDL Number:
MFCD11042161
IUPAC Name:
tert-butyl 4-(2-bromo-4-nitrophenyl)piperazine-1-carboxylate
InChI:
InChI=1S/C15H20BrN3O4/c1-15(2,3)23-14(20)18-8-6-17(7-9-18)13-5-4-11(19(21)22)10-12(13)16/h4-5,10H,6-9H2,1-3H3
InChI Key:
WUXKCMOKDQYLPF-UHFFFAOYSA-N
SMILES:
O=C(N1CCN(CC1)c1ccc(cc1Br)[N+](=O)[O-])OC(C)(C)C
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
385.064g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
386.246g/mol
Monoisotopic Mass:
385.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.