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Home > Nitro Compounds > 74590-04-8
74590-04-8 | 4,4',6,6'-Tetranitrodiphenic acid, dimethyl ester
CAS No: 74590-04-8 Catalog No: AG00FX15 MDL No:
Product Description
Catalog Number:
AG00FX15
Chemical Name:
4,4',6,6'-Tetranitrodiphenic acid, dimethyl ester
CAS Number:
74590-04-8
IUPAC Name:
methyl 2-(2-methoxycarbonyl-4,6-dinitrophenyl)-3,5-dinitrobenzoate
InChI:
InChI=1S/C16H10N4O12/c1-31-15(21)9-3-7(17(23)24)5-11(19(27)28)13(9)14-10(16(22)32-2)4-8(18(25)26)6-12(14)20(29)30/h3-6H,1-2H3
InChI Key:
DAKJWQDVVRIVKB-UHFFFAOYSA-N
Properties
Complexity:
731
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
450.03g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
12
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
450.272g/mol
Monoisotopic Mass:
450.03g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
236A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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