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75167-21-4 | 1-Piperazinecarboxylic acid, 4-(6-chloro-3-nitro-2-pyridinyl)-, ethyl ester
CAS No: 75167-21-4 Catalog No: AG005E2I MDL No:
Product Description
Catalog Number:
AG005E2I
Chemical Name:
1-Piperazinecarboxylic acid, 4-(6-chloro-3-nitro-2-pyridinyl)-, ethyl ester
CAS Number:
75167-21-4
Molecular Formula:
C12H15ClN4O4
Molecular Weight:
314.7249
IUPAC Name:
ethyl 4-(6-chloro-3-nitropyridin-2-yl)piperazine-1-carboxylate
InChI:
InChI=1S/C12H15ClN4O4/c1-2-21-12(18)16-7-5-15(6-8-16)11-9(17(19)20)3-4-10(13)14-11/h3-4H,2,5-8H2,1H3
InChI Key:
AKMFLNXSGUYKJX-UHFFFAOYSA-N
SMILES:
CCOC(=O)N1CCN(CC1)c1nc(Cl)ccc1[N+](=O)[O-]
Properties
Complexity:
384
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.078g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
314.726g/mol
Monoisotopic Mass:
314.078g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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