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Home > Nitro Compounds > 81420-42-0
81420-42-0 | BIS(2-NITROPHENYL) CARBONATE
CAS No: 81420-42-0 Catalog No: AG0059A6 MDL No:
Product Description
Catalog Number:
AG0059A6
Chemical Name:
BIS(2-NITROPHENYL) CARBONATE
CAS Number:
81420-42-0
Molecular Formula:
C13H8N2O7
Molecular Weight:
304.2118
IUPAC Name:
bis(2-nitrophenyl) carbonate
InChI:
InChI=1S/C13H8N2O7/c16-13(21-11-7-3-1-5-9(11)14(17)18)22-12-8-4-2-6-10(12)15(19)20/h1-8H
InChI Key:
DQPSUGZZTADITQ-UHFFFAOYSA-N
SMILES:
O=C(Oc1ccccc1[N+](=O)[O-])Oc1ccccc1[N+](=O)[O-]
NSC Number:
107153
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.033g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.214g/mol
Monoisotopic Mass:
304.033g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Synthesis of bis-ureas from bis(o-nitrophenyl) carbonate. | Molecules (Basel, Switzerland) 20081215 |
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