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Home > Bromides > 1022353-79-2
1022353-79-2 | 1-Piperazineacetic acid, 4-[(4-bromophenyl)sulfonyl]-, ethyl ester
CAS No: 1022353-79-2 Catalog No: AG0006Z4 MDL No:MFCD12913973
Product Description
Catalog Number:
AG0006Z4
Chemical Name:
1-Piperazineacetic acid, 4-[(4-bromophenyl)sulfonyl]-, ethyl ester
CAS Number:
1022353-79-2
Molecular Formula:
C14H19BrN2O4S
Molecular Weight:
391.2807
MDL Number:
MFCD12913973
IUPAC Name:
ethyl 2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]acetate
InChI:
InChI=1S/C14H19BrN2O4S/c1-2-21-14(18)11-16-7-9-17(10-8-16)22(19,20)13-5-3-12(15)4-6-13/h3-6H,2,7-11H2,1H3
InChI Key:
DFGAHTVPVGLXTK-UHFFFAOYSA-N
SMILES:
CCOC(=O)CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)Br
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.025g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
391.28g/mol
Monoisotopic Mass:
390.025g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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