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Home > Nitro Compounds > 82321-04-8
82321-04-8 | N-Succinimidyl 6-(2,4-Dinitroanilino)hexanoate , 97%
CAS No: 82321-04-8 Catalog No: AG003TCG MDL No:MFCD00191630
Product Description
Catalog Number:
AG003TCG
Chemical Name:
N-Succinimidyl 6-(2,4-Dinitroanilino)hexanoate , 97%
CAS Number:
82321-04-8
Molecular Formula:
C16H18N4O8
Molecular Weight:
394.3361
MDL Number:
MFCD00191630
IUPAC Name:
(2,5-dioxopyrrolidin-1-yl) 6-(2,4-dinitroanilino)hexanoate
InChI:
InChI=1S/C16H18N4O8/c21-14-7-8-15(22)18(14)28-16(23)4-2-1-3-9-17-12-6-5-11(19(24)25)10-13(12)20(26)27/h5-6,10,17H,1-4,7-9H2
InChI Key:
IYBNUJCDIAGXNX-UHFFFAOYSA-N
SMILES:
O=C(ON1C(=O)CCC1=O)CCCCCNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
613
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.112g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
394.34g/mol
Monoisotopic Mass:
394.112g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
167A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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