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Home > Nitro Compounds > 18977-36-1
18977-36-1 | Cyclohexanone, 2,6-bis[(3-nitrophenyl)methylene]-
CAS No: 18977-36-1 Catalog No: AG002DYO MDL No:
Product Description
Catalog Number:
AG002DYO
Chemical Name:
Cyclohexanone, 2,6-bis[(3-nitrophenyl)methylene]-
CAS Number:
18977-36-1
Molecular Formula:
C20H16N2O5
Molecular Weight:
364.3514
IUPAC Name:
2,6-bis[(3-nitrophenyl)methylidene]cyclohexan-1-one
InChI:
InChI=1S/C20H16N2O5/c23-20-16(10-14-4-1-8-18(12-14)21(24)25)6-3-7-17(20)11-15-5-2-9-19(13-15)22(26)27/h1-2,4-5,8-13H,3,6-7H2
InChI Key:
YXADDWKSFJIQJN-UHFFFAOYSA-N
SMILES:
O=C1C(=Cc2cccc(c2)[N+](=O)[O-])CCCC1=Cc1cccc(c1)[N+](=O)[O-]
EC Number:
242-711-0
Properties
Complexity:
604
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.106g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
364.357g/mol
Monoisotopic Mass:
364.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
2
XLogP3:
4.7
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