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Home > Nitro Compounds > 838886-46-7
838886-46-7 | 4-(2-Chloro-4-nitrophenyl)piperazine-1-carboxamide
CAS No: 838886-46-7 Catalog No: AG01E9SD MDL No:
Product Description
Catalog Number:
AG01E9SD
Chemical Name:
4-(2-Chloro-4-nitrophenyl)piperazine-1-carboxamide
CAS Number:
838886-46-7
Molecular Formula:
C11H13ClN4O3
Molecular Weight:
284.6989
IUPAC Name:
4-(2-chloro-4-nitrophenyl)piperazine-1-carboxamide
InChI:
InChI=1S/C11H13ClN4O3/c12-9-7-8(16(18)19)1-2-10(9)14-3-5-15(6-4-14)11(13)17/h1-2,7H,3-6H2,(H2,13,17)
InChI Key:
JJFOZTXLHDSNSE-UHFFFAOYSA-N
SMILES:
NC(=O)N1CCN(CC1)c1ccc(cc1Cl)[N+](=O)[O-]
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.068g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
284.7g/mol
Monoisotopic Mass:
284.068g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
95.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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