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706767-17-1 | 1-Piperazinecarboxylic acid, 4-(5-nitro-2-thienyl)-, ethyl ester
CAS No: 706767-17-1 Catalog No: AG005GV1 MDL No:
Product Description
Catalog Number:
AG005GV1
Chemical Name:
1-Piperazinecarboxylic acid, 4-(5-nitro-2-thienyl)-, ethyl ester
CAS Number:
706767-17-1
Molecular Formula:
C11H15N3O4S
Molecular Weight:
285.3195
IUPAC Name:
ethyl 4-(5-nitrothiophen-2-yl)piperazine-1-carboxylate
InChI:
InChI=1S/C11H15N3O4S/c1-2-18-11(15)13-7-5-12(6-8-13)9-3-4-10(19-9)14(16)17/h3-4H,2,5-8H2,1H3
InChI Key:
UZIJPLRVLJWOGH-UHFFFAOYSA-N
SMILES:
CCOC(=O)N1CCN(CC1)c1ccc(s1)[N+](=O)[O-]
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.078g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.318g/mol
Monoisotopic Mass:
285.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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