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1226808-58-7 | 1-Piperazinecarboxylic acid, 4-(4-bromophenyl)-, 1-methylethyl ester
CAS No: 1226808-58-7 Catalog No: AG0017M8 MDL No:MFCD16295048
Product Description
Catalog Number:
AG0017M8
Chemical Name:
1-Piperazinecarboxylic acid, 4-(4-bromophenyl)-, 1-methylethyl ester
CAS Number:
1226808-58-7
Molecular Formula:
C14H19BrN2O2
Molecular Weight:
327.2169
MDL Number:
MFCD16295048
IUPAC Name:
propan-2-yl 4-(4-bromophenyl)piperazine-1-carboxylate
InChI:
InChI=1S/C14H19BrN2O2/c1-11(2)19-14(18)17-9-7-16(8-10-17)13-5-3-12(15)4-6-13/h3-6,11H,7-10H2,1-2H3
InChI Key:
QKFAJBOLDVLGRH-UHFFFAOYSA-N
SMILES:
CC(OC(=O)N1CCN(CC1)c1ccc(cc1)Br)C
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.063g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.222g/mol
Monoisotopic Mass:
326.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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