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29394-58-9 | Butane, 1-iodo-2-methyl-, (2S)-
CAS No: 29394-58-9 Catalog No: AG002Y93 MDL No:MFCD00079371
Product Description
Catalog Number:
AG002Y93
Chemical Name:
Butane, 1-iodo-2-methyl-, (2S)-
CAS Number:
29394-58-9
Molecular Formula:
C5H11I
Molecular Weight:
198.0453
MDL Number:
MFCD00079371
IUPAC Name:
(2S)-1-iodo-2-methylbutane
InChI:
InChI=1S/C5H11I/c1-3-5(2)4-6/h5H,3-4H2,1-2H3/t5-/m0/s1
InChI Key:
RHBHXHXNWHTGSO-YFKPBYRVSA-N
SMILES:
CC[C@@H](CI)C
Properties
Complexity:
27.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
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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