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Home > Nitro Compounds > 82184-63-2
82184-63-2 | 2,4,6-Trinitro-benzenemethanol 1-nitrate
CAS No: 82184-63-2 Catalog No: AG00G7G6 MDL No:
Product Description
Catalog Number:
AG00G7G6
Chemical Name:
2,4,6-Trinitro-benzenemethanol 1-nitrate
CAS Number:
82184-63-2
IUPAC Name:
(2,4,6-trinitrophenyl)methyl nitrate
InChI:
InChI=1S/C7H4N4O9/c12-8(13)4-1-6(9(14)15)5(3-20-11(18)19)7(2-4)10(16)17/h1-2H,3H2
InChI Key:
SXOBCVKLWIUIME-UHFFFAOYSA-N
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.998g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.128g/mol
Monoisotopic Mass:
287.998g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
193A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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