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Home > Bromides > 1381944-27-9
1381944-27-9 | 1-Piperazinecarboxylic acid, 4-(3-bromo-2-formylphenyl)-, 1,1-dimethylethyl ester
CAS No: 1381944-27-9 Catalog No: AG001861 MDL No:MFCD22375104
Product Description
Catalog Number:
AG001861
Chemical Name:
1-Piperazinecarboxylic acid, 4-(3-bromo-2-formylphenyl)-, 1,1-dimethylethyl ester
CAS Number:
1381944-27-9
Molecular Formula:
C16H21BrN2O3
Molecular Weight:
369.2535
MDL Number:
MFCD22375104
IUPAC Name:
tert-butyl 4-(3-bromo-2-formylphenyl)piperazine-1-carboxylate
InChI:
InChI=1S/C16H21BrN2O3/c1-16(2,3)22-15(21)19-9-7-18(8-10-19)14-6-4-5-13(17)12(14)11-20/h4-6,11H,7-10H2,1-3H3
InChI Key:
NPRGNLAZNZFAKI-UHFFFAOYSA-N
SMILES:
O=Cc1c(Br)cccc1N1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
368.074g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
369.259g/mol
Monoisotopic Mass:
368.074g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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