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Home > Nitro Compounds > 15741-91-0
15741-91-0 | Carbonic acid, butyl 2,4-dinitrophenyl ester (8CI)
CAS No: 15741-91-0 Catalog No: AG001PFT MDL No:
Product Description
Catalog Number:
AG001PFT
Chemical Name:
Carbonic acid, butyl 2,4-dinitrophenyl ester (8CI)
CAS Number:
15741-91-0
Molecular Formula:
C11H12N2O7
Molecular Weight:
284.2222
IUPAC Name:
butyl (2,4-dinitrophenyl) carbonate
InChI:
InChI=1S/C11H12N2O7/c1-2-3-6-19-11(14)20-10-5-4-8(12(15)16)7-9(10)13(17)18/h4-5,7H,2-3,6H2,1H3
InChI Key:
UKVCWXQPMRARHZ-UHFFFAOYSA-N
SMILES:
CCCCOC(=O)Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.064g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.224g/mol
Monoisotopic Mass:
284.064g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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