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76778-00-2 | 1-iodobut-2-yne
CAS No: 76778-00-2 Catalog No: AG01ABY6 MDL No:MFCD20414822
Product Description
Catalog Number:
AG01ABY6
Chemical Name:
1-iodobut-2-yne
CAS Number:
76778-00-2
Molecular Formula:
C4H5I
Molecular Weight:
179.9870
MDL Number:
MFCD20414822
IUPAC Name:
1-iodobut-2-yne
InChI:
InChI=1S/C4H5I/c1-2-3-4-5/h4H2,1H3
InChI Key:
LKAIOZOVAZYTRN-UHFFFAOYSA-N
SMILES:
CC#CCI
Properties
Complexity:
62.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.944g/mol
Formal Charge:
0
Heavy Atom Count:
5
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.988g/mol
Monoisotopic Mass:
179.944g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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