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19910-92-0 | Methanone, bis(4-methyl-3-nitrophenyl)-
CAS No: 19910-92-0 Catalog No: AG002BWX MDL No:
Product Description
Catalog Number:
AG002BWX
Chemical Name:
Methanone, bis(4-methyl-3-nitrophenyl)-
CAS Number:
19910-92-0
Molecular Formula:
C15H12N2O5
Molecular Weight:
300.2662
IUPAC Name:
bis(4-methyl-3-nitrophenyl)methanone
InChI:
InChI=1S/C15H12N2O5/c1-9-3-5-11(7-13(9)16(19)20)15(18)12-6-4-10(2)14(8-12)17(21)22/h3-8H,1-2H3
InChI Key:
IRIXNJMNGNFXGF-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)[N+](=O)[O-])C)c1ccc(c(c1)[N+](=O)[O-])C
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.075g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.27g/mol
Monoisotopic Mass:
300.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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