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1889-26-5 | Pentanoyl bromide
CAS No: 1889-26-5 Catalog No: AG002HHS MDL No:MFCD00059467
Product Description
Catalog Number:
AG002HHS
Chemical Name:
Pentanoyl bromide
CAS Number:
1889-26-5
Molecular Formula:
C5H9BrO
Molecular Weight:
165.0284
MDL Number:
MFCD00059467
IUPAC Name:
pentanoyl bromide
InChI:
InChI=1S/C5H9BrO/c1-2-3-4-5(6)7/h2-4H2,1H3
InChI Key:
FDOHPUYPQQKECS-UHFFFAOYSA-N
SMILES:
CCCCC(=O)Br
Properties
Complexity:
61.1
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:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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