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Home > Nitro Compounds > 886360-73-2
886360-73-2 | Benzoic acid,5-nitro-2-(1-piperazinyl)-, methyl ester
CAS No: 886360-73-2 Catalog No: AG0049SJ MDL No:MFCD03791233
Product Description
Catalog Number:
AG0049SJ
Chemical Name:
Benzoic acid,5-nitro-2-(1-piperazinyl)-, methyl ester
CAS Number:
886360-73-2
Molecular Formula:
C12H15N3O4
Molecular Weight:
265.2652
MDL Number:
MFCD03791233
IUPAC Name:
methyl 5-nitro-2-piperazin-1-ylbenzoate
InChI:
InChI=1S/C12H15N3O4/c1-19-12(16)10-8-9(15(17)18)2-3-11(10)14-6-4-13-5-7-14/h2-3,8,13H,4-7H2,1H3
InChI Key:
PYZUYRBYEKFTPS-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(ccc1N1CCNCC1)[N+](=O)[O-]
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.106g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.269g/mol
Monoisotopic Mass:
265.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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