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126261-84-5 | Benzene, 1-iodo-4-propyl-
CAS No: 126261-84-5 Catalog No: AG000SFH MDL No:
Product Description
Catalog Number:
AG000SFH
Chemical Name:
Benzene, 1-iodo-4-propyl-
CAS Number:
126261-84-5
Molecular Formula:
C9H11I
Molecular Weight:
246.0881
IUPAC Name:
1-iodo-4-propylbenzene
InChI:
InChI=1S/C9H11I/c1-2-3-8-4-6-9(10)7-5-8/h4-7H,2-3H2,1H3
InChI Key:
ZRWCHMFGMKNWEC-UHFFFAOYSA-N
SMILES:
CCCc1ccc(cc1)I
Properties
Complexity:
82.7
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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