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89727-70-8 | Benzene, 1-(1,2-dibromo-1,2-dimethylpropyl)-4-nitro-
CAS No: 89727-70-8 Catalog No: AG0041ZQ MDL No:
Product Description
Catalog Number:
AG0041ZQ
Chemical Name:
Benzene, 1-(1,2-dibromo-1,2-dimethylpropyl)-4-nitro-
CAS Number:
89727-70-8
Molecular Formula:
C11H13Br2NO2
Molecular Weight:
351.0344
IUPAC Name:
1-(2,3-dibromo-3-methylbutan-2-yl)-4-nitrobenzene
InChI:
InChI=1S/C11H13Br2NO2/c1-10(2,12)11(3,13)8-4-6-9(7-5-8)14(15)16/h4-7H,1-3H3
InChI Key:
KRDTUZPYWKCLCH-UHFFFAOYSA-N
SMILES:
CC(C(Br)(C)C)(c1ccc(cc1)[N+](=O)[O-])Br
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.929g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
351.038g/mol
Monoisotopic Mass:
348.931g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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