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88945-53-3 | Butane, 1-iodo-2,3,3-trimethyl-
CAS No: 88945-53-3 Catalog No: AG0048AJ MDL No:MFCD30500865
Product Description
Catalog Number:
AG0048AJ
Chemical Name:
Butane, 1-iodo-2,3,3-trimethyl-
CAS Number:
88945-53-3
Molecular Formula:
C7H15I
Molecular Weight:
226.0985
MDL Number:
MFCD30500865
IUPAC Name:
1-iodo-2,3,3-trimethylbutane
InChI:
InChI=1S/C7H15I/c1-6(5-8)7(2,3)4/h6H,5H2,1-4H3
InChI Key:
NWOXPVMWDFLTSI-UHFFFAOYSA-N
SMILES:
ICC(C(C)(C)C)C
Properties
Complexity:
61.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.022g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.101g/mol
Monoisotopic Mass:
226.022g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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