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114406-71-2 | Methanone, bis[4-(methylamino)-3-nitrophenyl]-
CAS No: 114406-71-2 Catalog No: AG000B95 MDL No:
Product Description
Catalog Number:
AG000B95
Chemical Name:
Methanone, bis[4-(methylamino)-3-nitrophenyl]-
CAS Number:
114406-71-2
Molecular Formula:
C15H14N4O5
Molecular Weight:
330.2955
IUPAC Name:
bis[4-(methylamino)-3-nitrophenyl]methanone
InChI:
InChI=1S/C15H14N4O5/c1-16-11-5-3-9(7-13(11)18(21)22)15(20)10-4-6-12(17-2)14(8-10)19(23)24/h3-8,16-17H,1-2H3
InChI Key:
SJCRZYPMMHAJCQ-UHFFFAOYSA-N
SMILES:
CNc1ccc(cc1[N+](=O)[O-])C(=O)c1ccc(c(c1)[N+](=O)[O-])NC
Properties
Complexity:
447
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.096g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
330.3g/mol
Monoisotopic Mass:
330.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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