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15672-88-5 | Butane, 1-iodo-3,3-dimethyl-
CAS No: 15672-88-5 Catalog No: AG001OXJ MDL No:
Product Description
Catalog Number:
AG001OXJ
Chemical Name:
Butane, 1-iodo-3,3-dimethyl-
CAS Number:
15672-88-5
Molecular Formula:
C6H13I
Molecular Weight:
212.0719
IUPAC Name:
1-iodo-3,3-dimethylbutane
InChI:
InChI=1S/C6H13I/c1-6(2,3)4-5-7/h4-5H2,1-3H3
InChI Key:
KNKFLSQIGYRZAQ-UHFFFAOYSA-N
SMILES:
ICCC(C)(C)C
Properties
Complexity:
42.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.006g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.074g/mol
Monoisotopic Mass:
212.006g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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