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26464-06-2 | Butanoyl bromide, 2-ethyl-
CAS No: 26464-06-2 Catalog No: AG002TCJ MDL No:
Product Description
Catalog Number:
AG002TCJ
Chemical Name:
Butanoyl bromide, 2-ethyl-
CAS Number:
26464-06-2
Molecular Formula:
C6H11BrO
Molecular Weight:
179.0549
IUPAC Name:
2-ethylbutanoyl bromide
InChI:
InChI=1S/C6H11BrO/c1-3-5(4-2)6(7)8/h5H,3-4H2,1-2H3
InChI Key:
WQSCTLOEMUQLLZ-UHFFFAOYSA-N
SMILES:
CCC(C(=O)Br)CC
EC Number:
247-720-3
Properties
Complexity:
76.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.999g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.057g/mol
Monoisotopic Mass:
177.999g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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