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53545-96-3 | 6-Bromo-2,2-dimethylhexanenitrile
CAS No: 53545-96-3 Catalog No: AG003N3L MDL No:MFCD00191844
Product Description
Catalog Number:
AG003N3L
Chemical Name:
6-Bromo-2,2-dimethylhexanenitrile
CAS Number:
53545-96-3
MDL Number:
MFCD00191844
IUPAC Name:
6-bromo-2,2-dimethylhexanenitrile
InChI:
InChI=1S/C8H14BrN/c1-8(2,7-10)5-3-4-6-9/h3-6H2,1-2H3
InChI Key:
BBBNHHFFABZOEK-UHFFFAOYSA-N
Properties
Complexity:
131
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.031g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.111g/mol
Monoisotopic Mass:
203.031g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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