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1809-05-8 | Pentane, 3-iodo-
CAS No: 1809-05-8 Catalog No: AG0022GG MDL No:MFCD00013713
Product Description
Catalog Number:
AG0022GG
Chemical Name:
Pentane, 3-iodo-
CAS Number:
1809-05-8
Molecular Formula:
C5H11I
Molecular Weight:
198.0453
MDL Number:
MFCD00013713
IUPAC Name:
3-iodopentane
InChI:
InChI=1S/C5H11I/c1-3-5(6)4-2/h5H,3-4H2,1-2H3
InChI Key:
VRQDQJYBWZERBW-UHFFFAOYSA-N
SMILES:
CCC(CC)I
EC Number:
217-313-5
Properties
Complexity:
23.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.991g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.047g/mol
Monoisotopic Mass:
197.991g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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