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20919-97-5 | Butane, 2,2,3,3-tetranitro-
CAS No: 20919-97-5 Catalog No: AG002K3K MDL No:
Product Description
Catalog Number:
AG002K3K
Chemical Name:
Butane, 2,2,3,3-tetranitro-
CAS Number:
20919-97-5
Molecular Formula:
C4H6N4O8
Molecular Weight:
238.1124
IUPAC Name:
2,2,3,3-tetranitrobutane
InChI:
InChI=1S/C4H6N4O8/c1-3(5(9)10,6(11)12)4(2,7(13)14)8(15)16/h1-2H3
InChI Key:
TZYHJVUDEVSVCR-UHFFFAOYSA-N
SMILES:
CC(C([N+](=O)[O-])([N+](=O)[O-])C)([N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.019g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.112g/mol
Monoisotopic Mass:
238.019g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
183A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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