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57716-71-9 | 3,4-Dibromo-5-nitrotertbutylbenzene
CAS No: 57716-71-9 Catalog No: AG01EWIQ MDL No:MFCD11846049
Product Description
Catalog Number:
AG01EWIQ
Chemical Name:
3,4-Dibromo-5-nitrotertbutylbenzene
CAS Number:
57716-71-9
Molecular Formula:
C10H11Br2NO2
Molecular Weight:
337.0078
MDL Number:
MFCD11846049
IUPAC Name:
1,2-dibromo-5-tert-butyl-3-nitrobenzene
InChI:
InChI=1S/C10H11Br2NO2/c1-10(2,3)6-4-7(11)9(12)8(5-6)13(14)15/h4-5H,1-3H3
InChI Key:
OUSINYQPFAFDIP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1Br)Br)C(C)(C)C
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.914g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.011g/mol
Monoisotopic Mass:
334.916g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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