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Home > Nitro Compounds > 125372-42-1
125372-42-1 | Urea, N,N'-bis(2-nitronaphtho[2,1-b]furan-7-yl)-
CAS No: 125372-42-1 Catalog No: AG000NKB MDL No:
Product Description
Catalog Number:
AG000NKB
Chemical Name:
Urea, N,N'-bis(2-nitronaphtho[2,1-b]furan-7-yl)-
CAS Number:
125372-42-1
Molecular Formula:
C25H14N4O7
Molecular Weight:
482.4013
IUPAC Name:
1,1-bis(2-nitrobenzo[e][1]benzofuran-7-yl)urea
InChI:
InChI=1S/C25H14N4O7/c26-25(30)27(15-3-5-17-13(9-15)1-7-21-19(17)11-23(35-21)28(31)32)16-4-6-18-14(10-16)2-8-22-20(18)12-24(36-22)29(33)34/h1-12H,(H2,26,30)
InChI Key:
BSHSSDXGPXTGFT-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc2c(c1)ccc1c2cc(o1)[N+](=O)[O-])Nc1ccc2c(c1)ccc1c2cc(o1)[N+](=O)[O-]
Properties
Complexity:
829
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
482.086g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
482.408g/mol
Monoisotopic Mass:
482.086g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
164A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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