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155622-69-8 | 3-Buten-2-one, 1-bromo-
CAS No: 155622-69-8 Catalog No: AG001O2R MDL No:MFCD08234792
Product Description
Catalog Number:
AG001O2R
Chemical Name:
3-Buten-2-one, 1-bromo-
CAS Number:
155622-69-8
Molecular Formula:
C4H5BrO
Molecular Weight:
148.9859
MDL Number:
MFCD08234792
IUPAC Name:
1-bromobut-3-en-2-one
InChI:
InChI=1S/C4H5BrO/c1-2-4(6)3-5/h2H,1,3H2
InChI Key:
KMYUEVBVPJZOKD-UHFFFAOYSA-N
SMILES:
BrCC(=O)C=C
Properties
Complexity:
67.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.952g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.987g/mol
Monoisotopic Mass:
147.952g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| 6-Bromomethyl-4H-1,3-dioxin: a versatile bromomethyl vinyl ketone equivalent for heterocycle and carbocycle construction. | Journal of the American Chemical Society 20020206 |
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