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Home > Nitro Compounds > 68959-38-6
68959-38-6 | 1,3,5-tributoxy-2,4,6-trinitro-benzene
CAS No: 68959-38-6 Catalog No: AG00G0ND MDL No:
Product Description
Catalog Number:
AG00G0ND
Chemical Name:
1,3,5-tributoxy-2,4,6-trinitro-benzene
CAS Number:
68959-38-6
IUPAC Name:
1,3,5-tributoxy-2,4,6-trinitrobenzene
InChI:
InChI=1S/C18H27N3O9/c1-4-7-10-28-16-13(19(22)23)17(29-11-8-5-2)15(21(26)27)18(14(16)20(24)25)30-12-9-6-3/h4-12H2,1-3H3
InChI Key:
VUTBMMBSKVZGJH-UHFFFAOYSA-N
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
429.175g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
429.426g/mol
Monoisotopic Mass:
429.175g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
165A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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