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Home > Nitro Compounds > 959579-20-5
959579-20-5 | 4-formyl-N-(4-nitrophenyl)piperazine-1-carbothioamide
CAS No: 959579-20-5 Catalog No: AG00IVC8 MDL No:MFCD02662121
Product Description
Catalog Number:
AG00IVC8
Chemical Name:
4-formyl-N-(4-nitrophenyl)piperazine-1-carbothioamide
CAS Number:
959579-20-5
Molecular Formula:
C12H14N4O3S
Molecular Weight:
294.3296
MDL Number:
MFCD02662121
IUPAC Name:
4-formyl-N-(4-nitrophenyl)piperazine-1-carbothioamide
InChI:
InChI=1S/C12H14N4O3S/c17-9-14-5-7-15(8-6-14)12(20)13-10-1-3-11(4-2-10)16(18)19/h1-4,9H,5-8H2,(H,13,20)
InChI Key:
NLRIKMMRAZECJZ-UHFFFAOYSA-N
SMILES:
O=CN1CCN(CC1)C(=S)Nc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.079g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
294.329g/mol
Monoisotopic Mass:
294.079g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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