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89779-42-0 | Benzene, [1-(iodomethylene)-3-butenyl]-
CAS No: 89779-42-0 Catalog No: AG00400E MDL No:
Product Description
Catalog Number:
AG00400E
Chemical Name:
Benzene, [1-(iodomethylene)-3-butenyl]-
CAS Number:
89779-42-0
Molecular Formula:
C11H11I
Molecular Weight:
270.1095
IUPAC Name:
1-iodopenta-1,4-dien-2-ylbenzene
InChI:
InChI=1S/C11H11I/c1-2-6-11(9-12)10-7-4-3-5-8-10/h2-5,7-9H,1,6H2
InChI Key:
VIRWZXJSHRDEND-UHFFFAOYSA-N
SMILES:
IC=C(c1ccccc1)CC=C
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.991g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.113g/mol
Monoisotopic Mass:
269.991g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.5
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