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Home > Nitro Compounds > 88230-27-7
88230-27-7 | 2(1H)-Pyrimidinone, tetrahydro-1,3-bis(3-nitrophenyl)-
CAS No: 88230-27-7 Catalog No: AG004B5U MDL No:
Product Description
Catalog Number:
AG004B5U
Chemical Name:
2(1H)-Pyrimidinone, tetrahydro-1,3-bis(3-nitrophenyl)-
CAS Number:
88230-27-7
Molecular Formula:
C16H14N4O5
Molecular Weight:
342.3062
IUPAC Name:
1,3-bis(3-nitrophenyl)-1,3-diazinan-2-one
InChI:
InChI=1S/C16H14N4O5/c21-16-17(12-4-1-6-14(10-12)19(22)23)8-3-9-18(16)13-5-2-7-15(11-13)20(24)25/h1-2,4-7,10-11H,3,8-9H2
InChI Key:
JRGSOWVYRMHJBR-UHFFFAOYSA-N
SMILES:
O=C1N(CCCN1c1cccc(c1)[N+](=O)[O-])c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.096g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.311g/mol
Monoisotopic Mass:
342.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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