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851011-44-4 | Thiophene, 3-[(3S)-3,7-dimethyloctyl]-2-iodo-
CAS No: 851011-44-4 Catalog No: AG004OJ7 MDL No:
Product Description
Catalog Number:
AG004OJ7
Chemical Name:
Thiophene, 3-[(3S)-3,7-dimethyloctyl]-2-iodo-
CAS Number:
851011-44-4
Molecular Formula:
C14H23IS
Molecular Weight:
350.3019
IUPAC Name:
3-[(3S)-3,7-dimethyloctyl]-2-iodothiophene
InChI:
InChI=1S/C14H23IS/c1-11(2)5-4-6-12(3)7-8-13-9-10-16-14(13)15/h9-12H,4-8H2,1-3H3/t12-/m0/s1
InChI Key:
HIMSGRCTJFAKGQ-LBPRGKRZSA-N
SMILES:
C[C@H](CCc1ccsc1I)CCCC(C)C
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
350.057g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
350.302g/mol
Monoisotopic Mass:
350.057g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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