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Home > Nitro Compounds > 31554-45-7
31554-45-7 | 2-(3,5-dinitro-2-thienyl)-cyclohexanone
CAS No: 31554-45-7 Catalog No: AG01EPDV MDL No:
Product Description
Catalog Number:
AG01EPDV
Chemical Name:
2-(3,5-dinitro-2-thienyl)-cyclohexanone
CAS Number:
31554-45-7
Molecular Formula:
C10H10N2O5S
Molecular Weight:
270.2618
IUPAC Name:
2-(3,5-dinitrothiophen-2-yl)cyclohexan-1-one
InChI:
InChI=1S/C10H10N2O5S/c13-8-4-2-1-3-6(8)10-7(11(14)15)5-9(18-10)12(16)17/h5-6H,1-4H2
InChI Key:
UBMFAMUMOFXLPT-UHFFFAOYSA-N
SMILES:
O=C1CCCCC1c1sc(cc1[N+](=O)[O-])[N+](=O)[O-]
NSC Number:
245214
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.031g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.259g/mol
Monoisotopic Mass:
270.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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