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19164-77-3 | Benzene, 1-ethyl-3-iodo-
CAS No: 19164-77-3 Catalog No: AG002FER MDL No:MFCD11183303
Product Description
Catalog Number:
AG002FER
Chemical Name:
Benzene, 1-ethyl-3-iodo-
CAS Number:
19164-77-3
Molecular Formula:
C8H9I
Molecular Weight:
232.0615
MDL Number:
MFCD11183303
IUPAC Name:
1-ethyl-3-iodobenzene
InChI:
InChI=1S/C8H9I/c1-2-7-4-3-5-8(9)6-7/h3-6H,2H2,1H3
InChI Key:
XSMZGZMBNXKCBW-UHFFFAOYSA-N
SMILES:
CCc1cccc(c1)I
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:
3.4
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