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111505-90-9 | Benzene, (4-iodo-3-butenyl)-
CAS No: 111505-90-9 Catalog No: AG007SVD MDL No:
Product Description
Catalog Number:
AG007SVD
Chemical Name:
Benzene, (4-iodo-3-butenyl)-
CAS Number:
111505-90-9
Molecular Formula:
C10H11I
Molecular Weight:
258.0988
IUPAC Name:
4-iodobut-3-enylbenzene
InChI:
InChI=1S/C10H11I/c11-9-5-4-8-10-6-2-1-3-7-10/h1-3,5-7,9H,4,8H2
InChI Key:
UIWSXWYGRBDGLE-UHFFFAOYSA-N
SMILES:
IC=CCCc1ccccc1
Properties
Complexity:
112
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:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.8
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