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27644-18-4 | Propanoyl bromide, 2,2-dimethyl-
CAS No: 27644-18-4 Catalog No: AG002UB0 MDL No:MFCD18072767
Product Description
Catalog Number:
AG002UB0
Chemical Name:
Propanoyl bromide, 2,2-dimethyl-
CAS Number:
27644-18-4
Molecular Formula:
C5H9BrO
Molecular Weight:
165.0284
MDL Number:
MFCD18072767
IUPAC Name:
2,2-dimethylpropanoyl bromide
InChI:
InChI=1S/C5H9BrO/c1-5(2,3)4(6)7/h1-3H3
InChI Key:
PLUVDASVCADYIX-UHFFFAOYSA-N
SMILES:
BrC(=O)C(C)(C)C
EC Number:
248-590-0
Properties
Complexity:
80.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.984g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.03g/mol
Monoisotopic Mass:
163.984g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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