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89444-76-8 | Phenol, 2,4,6-tribromo-3-methyl-5-nitro-
CAS No: 89444-76-8 Catalog No: AG0044IY MDL No:
Product Description
Catalog Number:
AG0044IY
Chemical Name:
Phenol, 2,4,6-tribromo-3-methyl-5-nitro-
CAS Number:
89444-76-8
Molecular Formula:
C7H4Br3NO3
Molecular Weight:
389.8236
IUPAC Name:
2,4,6-tribromo-3-methyl-5-nitrophenol
InChI:
InChI=1S/C7H4Br3NO3/c1-2-3(8)6(11(13)14)5(10)7(12)4(2)9/h12H,1H3
InChI Key:
MBXRBAHOLDNSIJ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(Br)c(C)c(c(c1Br)O)Br
Properties
Complexity:
235
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.772g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
389.825g/mol
Monoisotopic Mass:
386.774g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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