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598-19-6 | 2-Bromoallyl Alcohol
CAS No: 598-19-6 Catalog No: AG00329H MDL No:MFCD09265077
Product Description
Catalog Number:
AG00329H
Chemical Name:
2-Bromoallyl Alcohol
CAS Number:
598-19-6
Molecular Formula:
C3H5BrO
Molecular Weight:
136.9752
MDL Number:
MFCD09265077
IUPAC Name:
2-bromoprop-2-en-1-ol
InChI:
InChI=1S/C3H5BrO/c1-3(4)2-5/h5H,1-2H2
InChI Key:
MDFFZNIQPLKQSG-UHFFFAOYSA-N
SMILES:
OCC(=C)Br
Properties
Complexity:
42.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
135.952g/mol
Formal Charge:
0
Heavy Atom Count:
5
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
136.976g/mol
Monoisotopic Mass:
135.952g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Haloalkane dehalogenase LinB from Sphingomonas paucimobilis UT26: X-ray crystallographic studies of dehalogenation of brominated substrates. | Biochemistry 20030902 |
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