Home Halogens 4-bromo-2,2-dimethylbutanenitrile

4-bromo-2,2-dimethylbutanenitrile

CAS No.:
1240955-62-7
Catalog Number:
AG01BB0G
Molecular Formula:
C6H10BrN
Molecular Weight:
176.0543
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Product Description
Catalog Number:
AG01BB0G
Chemical Name:
4-bromo-2,2-dimethylbutanenitrile
CAS Number:
1240955-62-7
Molecular Formula:
C6H10BrN
Molecular Weight:
176.0543
MDL Number:
MFCD20638110
IUPAC Name:
4-bromo-2,2-dimethylbutanenitrile
InChI:
InChI=1S/C6H10BrN/c1-6(2,5-8)3-4-7/h3-4H2,1-2H3
InChI Key:
XEYDLTVVSSVNKU-UHFFFAOYSA-N
SMILES:
BrCCC(C#N)(C)C
Properties
Complexity:
109  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.057g/mol
Monoisotopic Mass:
175g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties