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3145-86-6 | Benzene,1-(iodomethyl)-4-nitro-
CAS No: 3145-86-6 Catalog No: AG007JEQ MDL No:
Product Description
Catalog Number:
AG007JEQ
Chemical Name:
Benzene,1-(iodomethyl)-4-nitro-
CAS Number:
3145-86-6
Molecular Formula:
C7H6INO2
Molecular Weight:
263.0325
IUPAC Name:
1-(iodomethyl)-4-nitrobenzene
InChI:
InChI=1S/C7H6INO2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H,5H2
InChI Key:
INKNHBKFSPIMKS-UHFFFAOYSA-N
SMILES:
ICc1ccc(cc1)[N+](=O)[O-]
EC Number:
221-557-8
NSC Number:
401699
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.944g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.034g/mol
Monoisotopic Mass:
262.944g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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