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88744-01-8 | Carbonic acid, 2,4-dinitrophenyl 9H-fluoren-9-ylmethyl ester
CAS No: 88744-01-8 Catalog No: AG004DK9 MDL No:
Product Description
Catalog Number:
AG004DK9
Chemical Name:
Carbonic acid, 2,4-dinitrophenyl 9H-fluoren-9-ylmethyl ester
CAS Number:
88744-01-8
Molecular Formula:
C21H14N2O7
Molecular Weight:
406.3451
IUPAC Name:
(2,4-dinitrophenyl) 9H-fluoren-9-ylmethyl carbonate
InChI:
InChI=1S/C21H14N2O7/c24-21(30-20-10-9-13(22(25)26)11-19(20)23(27)28)29-12-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-11,18H,12H2
InChI Key:
OAWLQMAGBWBRNT-UHFFFAOYSA-N
SMILES:
O=C(Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])OCC1c2ccccc2c2c1cccc2
Properties
Complexity:
639
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.08g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
406.35g/mol
Monoisotopic Mass:
406.08g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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