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159724-39-7 | 4-(1,1-Dimethylethyl)-1-iodo-2-nitrobenzene
CAS No: 159724-39-7 Catalog No: AG00ASYZ MDL No:MFCD11845935
Product Description
Catalog Number:
AG00ASYZ
Chemical Name:
4-(1,1-Dimethylethyl)-1-iodo-2-nitrobenzene
CAS Number:
159724-39-7
Molecular Formula:
C10H12INO2
Molecular Weight:
305.1122
MDL Number:
MFCD11845935
IUPAC Name:
4-tert-butyl-1-iodo-2-nitrobenzene
InChI:
InChI=1S/C10H12INO2/c1-10(2,3)7-4-5-8(11)9(6-7)12(13)14/h4-6H,1-3H3
InChI Key:
OYQXVYLZVHKLHL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1I)C(C)(C)C
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.991g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
305.115g/mol
Monoisotopic Mass:
304.991g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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