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886493-86-3 | (4-Bromo-phenyl)-(4,5-dimethoxy-2-nitro-phenyl)-methanone
CAS No: 886493-86-3 Catalog No: AG01EY8Q MDL No:
Product Description
Catalog Number:
AG01EY8Q
Chemical Name:
(4-Bromo-phenyl)-(4,5-dimethoxy-2-nitro-phenyl)-methanone
CAS Number:
886493-86-3
Molecular Formula:
C15H12BrNO5
Molecular Weight:
366.1635
IUPAC Name:
(4-bromophenyl)-(4,5-dimethoxy-2-nitrophenyl)methanone
InChI:
InChI=1S/C15H12BrNO5/c1-21-13-7-11(12(17(19)20)8-14(13)22-2)15(18)9-3-5-10(16)6-4-9/h3-8H,1-2H3
InChI Key:
SGUFJTHPPFGPCT-UHFFFAOYSA-N
SMILES:
COc1cc(C(=O)c2ccc(cc2)Br)c(cc1OC)[N+](=O)[O-]
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.99g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
366.167g/mol
Monoisotopic Mass:
364.99g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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