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114413-96-6 | Pentanamide, 5-bromo-2,2-dimethyl-
CAS No: 114413-96-6 Catalog No: AG000B9U MDL No:
Product Description
Catalog Number:
AG000B9U
Chemical Name:
Pentanamide, 5-bromo-2,2-dimethyl-
CAS Number:
114413-96-6
Molecular Formula:
C7H14BrNO
Molecular Weight:
208.0962
IUPAC Name:
5-bromo-2,2-dimethylpentanamide
InChI:
InChI=1S/C7H14BrNO/c1-7(2,6(9)10)4-3-5-8/h3-5H2,1-2H3,(H2,9,10)
InChI Key:
POAKGCCYLHEOBH-UHFFFAOYSA-N
SMILES:
BrCCCC(C(=O)N)(C)C
Properties
Complexity:
123
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.026g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.099g/mol
Monoisotopic Mass:
207.026g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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