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918959-09-8 | Benzene, 1-(3-iodo-1-propen-1-yl)-4-methyl-
CAS No: 918959-09-8 Catalog No: AG006LQU MDL No:
Product Description
Catalog Number:
AG006LQU
Chemical Name:
Benzene, 1-(3-iodo-1-propen-1-yl)-4-methyl-
CAS Number:
918959-09-8
Molecular Formula:
C10H11I
Molecular Weight:
258.0988
IUPAC Name:
1-(3-iodoprop-1-enyl)-4-methylbenzene
InChI:
InChI=1S/C10H11I/c1-9-4-6-10(7-5-9)3-2-8-11/h2-7H,8H2,1H3
InChI Key:
NJAWLBXKCOLUHJ-UHFFFAOYSA-N
SMILES:
ICC=Cc1ccc(cc1)C
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.991g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.102g/mol
Monoisotopic Mass:
257.991g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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