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2364-57-0 | 1,4-Benzenediol, 2,6-dinitro-, 4-acetate
CAS No: 2364-57-0 Catalog No: AG002O02 MDL No:
Product Description
Catalog Number:
AG002O02
Chemical Name:
1,4-Benzenediol, 2,6-dinitro-, 4-acetate
CAS Number:
2364-57-0
Molecular Formula:
C8H6N2O7
Molecular Weight:
242.1424
IUPAC Name:
(4-hydroxy-3,5-dinitrophenyl) acetate
InChI:
InChI=1S/C8H6N2O7/c1-4(11)17-5-2-6(9(13)14)8(12)7(3-5)10(15)16/h2-3,12H,1H3
InChI Key:
UVGXMMKJDGQAEB-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])O
NSC Number:
6146
Properties
Complexity:
310
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.018g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.143g/mol
Monoisotopic Mass:
242.018g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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