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1100053-97-1 | 2-Iodo-1-isopropyl-4-nitrobenzene
CAS No: 1100053-97-1 Catalog No: AG0084IV MDL No:MFCD23135798
Product Description
Catalog Number:
AG0084IV
Chemical Name:
2-Iodo-1-isopropyl-4-nitrobenzene
CAS Number:
1100053-97-1
Molecular Formula:
C9H10INO2
Molecular Weight:
291.0857
MDL Number:
MFCD23135798
IUPAC Name:
2-iodo-4-nitro-1-propan-2-ylbenzene
InChI:
InChI=1S/C9H10INO2/c1-6(2)8-4-3-7(11(12)13)5-9(8)10/h3-6H,1-2H3
InChI Key:
JFOQZXKNSMZHNE-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1I)[N+](=O)[O-])C
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.976g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.088g/mol
Monoisotopic Mass:
290.976g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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