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188479-25-6 | Methanone, (4-bromophenyl)(3,5-dinitrophenyl)-
CAS No: 188479-25-6 Catalog No: AG002GWS MDL No:
Product Description
Catalog Number:
AG002GWS
Chemical Name:
Methanone, (4-bromophenyl)(3,5-dinitrophenyl)-
CAS Number:
188479-25-6
Molecular Formula:
C13H7BrN2O5
Molecular Weight:
351.1091
IUPAC Name:
(4-bromophenyl)-(3,5-dinitrophenyl)methanone
InChI:
InChI=1S/C13H7BrN2O5/c14-10-3-1-8(2-4-10)13(17)9-5-11(15(18)19)7-12(6-9)16(20)21/h1-7H
InChI Key:
LBDKIGDLQAFGLM-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.954g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.112g/mol
Monoisotopic Mass:
349.954g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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