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56475-44-6 | 5-iodo-2,2-dimethylpentanenitrile
CAS No: 56475-44-6 Catalog No: AG00IA2R MDL No:MFCD21132253
Product Description
Catalog Number:
AG00IA2R
Chemical Name:
5-iodo-2,2-dimethylpentanenitrile
CAS Number:
56475-44-6
Molecular Formula:
C7H12IN
Molecular Weight:
237.0814
MDL Number:
MFCD21132253
IUPAC Name:
5-iodo-2,2-dimethylpentanenitrile
InChI:
InChI=1S/C7H12IN/c1-7(2,6-9)4-3-5-8/h3-5H2,1-2H3
InChI Key:
NWJMCDUSEGNZOU-UHFFFAOYSA-N
SMILES:
ICCCC(C#N)(C)C
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.001g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.084g/mol
Monoisotopic Mass:
237.001g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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