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18282-40-1 | Benzene, 1-ethyl-2-iodo-
CAS No: 18282-40-1 Catalog No: AG00246A MDL No:MFCD00040871
Product Description
Catalog Number:
AG00246A
Chemical Name:
Benzene, 1-ethyl-2-iodo-
CAS Number:
18282-40-1
Molecular Formula:
C8H9I
Molecular Weight:
232.0615
MDL Number:
MFCD00040871
IUPAC Name:
1-ethyl-2-iodobenzene
InChI:
InChI=1S/C8H9I/c1-2-7-5-3-4-6-8(7)9/h3-6H,2H2,1H3
InChI Key:
ZEJZDNMOGNUIHL-UHFFFAOYSA-N
SMILES:
CCc1ccccc1I
Properties
Complexity:
80.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.975g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.064g/mol
Monoisotopic Mass:
231.975g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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