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3958-56-3 | alpha-iodo-m-nitrotoluene
CAS No: 3958-56-3 Catalog No: AG00CO9D MDL No:
Product Description
Catalog Number:
AG00CO9D
Chemical Name:
alpha-iodo-m-nitrotoluene
CAS Number:
3958-56-3
IUPAC Name:
1-(iodomethyl)-3-nitrobenzene
InChI:
InChI=1S/C7H6INO2/c8-5-6-2-1-3-7(4-6)9(10)11/h1-4H,5H2
InChI Key:
VMRVVTVWRDVDAM-UHFFFAOYSA-N
EC Number:
223-556-8
Properties
Complexity:
146
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:
3.1
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