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100881-20-7 | Methanone, bis(4-methoxy-3-nitrophenyl)-
CAS No: 100881-20-7 Catalog No: AG00033A MDL No:
Product Description
Catalog Number:
AG00033A
Chemical Name:
Methanone, bis(4-methoxy-3-nitrophenyl)-
CAS Number:
100881-20-7
Molecular Formula:
C15H12N2O7
Molecular Weight:
332.2650
IUPAC Name:
bis(4-methoxy-3-nitrophenyl)methanone
InChI:
InChI=1S/C15H12N2O7/c1-23-13-5-3-9(7-11(13)16(19)20)15(18)10-4-6-14(24-2)12(8-10)17(21)22/h3-8H,1-2H3
InChI Key:
BDOHQEPUDCPQMJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1[N+](=O)[O-])C(=O)c1ccc(c(c1)[N+](=O)[O-])OC
NSC Number:
505715
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.064g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
332.268g/mol
Monoisotopic Mass:
332.064g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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