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Home > Nitro Compounds > 69726-55-2
69726-55-2 | 1-tert-Butyl-2,3,4-trinitro-pyrrole
CAS No: 69726-55-2 Catalog No: AG00FFT3 MDL No:
Product Description
Catalog Number:
AG00FFT3
Chemical Name:
1-tert-Butyl-2,3,4-trinitro-pyrrole
CAS Number:
69726-55-2
IUPAC Name:
1-tert-butyl-2,3,4-trinitropyrrole
InChI:
InChI=1S/C8H10N4O6/c1-8(2,3)9-4-5(10(13)14)6(11(15)16)7(9)12(17)18/h4H,1-3H3
InChI Key:
GFPRTZYHXNEGQX-UHFFFAOYSA-N
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.06g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.19g/mol
Monoisotopic Mass:
258.06g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
142A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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