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89444-75-7 | Benzene, 1,3,5-tribromo-2-methoxy-4-methyl-6-nitro-
CAS No: 89444-75-7 Catalog No: AG0043F3 MDL No:
Product Description
Catalog Number:
AG0043F3
Chemical Name:
Benzene, 1,3,5-tribromo-2-methoxy-4-methyl-6-nitro-
CAS Number:
89444-75-7
Molecular Formula:
C8H6Br3NO3
Molecular Weight:
403.8501
IUPAC Name:
1,3,5-tribromo-2-methoxy-4-methyl-6-nitrobenzene
InChI:
InChI=1S/C8H6Br3NO3/c1-3-4(9)7(12(13)14)6(11)8(15-2)5(3)10/h1-2H3
InChI Key:
WQGPWWAKDSESJU-UHFFFAOYSA-N
SMILES:
COc1c(Br)c(C)c(c(c1Br)[N+](=O)[O-])Br
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.788g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
403.852g/mol
Monoisotopic Mass:
400.79g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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