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23074-36-4 | 1-Butene, 2-bromo-
CAS No: 23074-36-4 Catalog No: AG002M47 MDL No:MFCD00039178
Product Description
Catalog Number:
AG002M47
Chemical Name:
1-Butene, 2-bromo-
CAS Number:
23074-36-4
Molecular Formula:
C4H7Br
Molecular Weight:
135.0024
MDL Number:
MFCD00039178
IUPAC Name:
2-bromobut-1-ene
InChI:
InChI=1S/C4H7Br/c1-3-4(2)5/h2-3H2,1H3
InChI Key:
HQMXRIGBXOFKIU-UHFFFAOYSA-N
SMILES:
CCC(=C)Br
EC Number:
245-412-3
Properties
Complexity:
38.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.973g/mol
Formal Charge:
0
Heavy Atom Count:
5
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
135.004g/mol
Monoisotopic Mass:
133.973g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Dissociation channels of the 1-buten-2-yl radical and its photolytic precursor 2-bromo-1-butene. | The journal of physical chemistry. A 20050512 |
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