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6727-73-7 | G-IODOBUTYRONITRILE
CAS No: 6727-73-7 Catalog No: AG00FB7L MDL No:MFCD00039501
Product Description
Catalog Number:
AG00FB7L
Chemical Name:
G-IODOBUTYRONITRILE
CAS Number:
6727-73-7
Molecular Formula:
C4H6IN
Molecular Weight:
195.0016
MDL Number:
MFCD00039501
IUPAC Name:
4-iodobutanenitrile
InChI:
InChI=1S/C4H6IN/c5-3-1-2-4-6/h1-3H2
InChI Key:
CWINCVBWHUGBEB-UHFFFAOYSA-N
SMILES:
ICCCC#N
NSC Number:
142687
Properties
Complexity:
61.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.954g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
195.003g/mol
Monoisotopic Mass:
194.954g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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