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Home > Nitro Compounds > 602-97-1
602-97-1 | 5-Methyl-2,4,6-trinitro-1,3-benzenediol
CAS No: 602-97-1 Catalog No: AG00F2Z9 MDL No:
Product Description
Catalog Number:
AG00F2Z9
Chemical Name:
5-Methyl-2,4,6-trinitro-1,3-benzenediol
CAS Number:
602-97-1
IUPAC Name:
5-methyl-2,4,6-trinitrobenzene-1,3-diol
InChI:
InChI=1S/C7H5N3O8/c1-2-3(8(13)14)6(11)5(10(17)18)7(12)4(2)9(15)16/h11-12H,1H3
InChI Key:
VGEVWRNWJBLRHQ-UHFFFAOYSA-N
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.008g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.13g/mol
Monoisotopic Mass:
259.008g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
178A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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