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110349-09-2 | Benzene, 1-iodo-2-propyl-
CAS No: 110349-09-2 Catalog No: AG007DBX MDL No:MFCD14682924
Product Description
Catalog Number:
AG007DBX
Chemical Name:
Benzene, 1-iodo-2-propyl-
CAS Number:
110349-09-2
Molecular Formula:
C9H11I
Molecular Weight:
246.0881
MDL Number:
MFCD14682924
IUPAC Name:
1-iodo-2-propylbenzene
InChI:
InChI=1S/C9H11I/c1-2-5-8-6-3-4-7-9(8)10/h3-4,6-7H,2,5H2,1H3
InChI Key:
VHTHXKHBZBSXOH-UHFFFAOYSA-N
SMILES:
CCCc1ccccc1I
Properties
Complexity:
90.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.991g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.091g/mol
Monoisotopic Mass:
245.991g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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