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89563-44-0 | Pentanenitrile, 2-bromo-4,4-dimethyl-3-oxo-
CAS No: 89563-44-0 Catalog No: AG003Y94 MDL No:MFCD24476623
Product Description
Catalog Number:
AG003Y94
Chemical Name:
Pentanenitrile, 2-bromo-4,4-dimethyl-3-oxo-
CAS Number:
89563-44-0
Molecular Formula:
C7H10BrNO
Molecular Weight:
204.0644
MDL Number:
MFCD24476623
IUPAC Name:
2-bromo-4,4-dimethyl-3-oxopentanenitrile
InChI:
InChI=1S/C7H10BrNO/c1-7(2,3)6(10)5(8)4-9/h5H,1-3H3
InChI Key:
JCPSORMNCXDSGA-UHFFFAOYSA-N
SMILES:
BrC(C(=O)C(C)(C)C)C#N
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.995g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.067g/mol
Monoisotopic Mass:
202.995g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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