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13140-16-4 | 3-Butenoyl bromide
CAS No: 13140-16-4 Catalog No: AG000W3L MDL No:
Product Description
Catalog Number:
AG000W3L
Chemical Name:
3-Butenoyl bromide
CAS Number:
13140-16-4
Molecular Formula:
C4H5BrO
Molecular Weight:
148.9859
IUPAC Name:
but-3-enoyl bromide
InChI:
InChI=1S/C4H5BrO/c1-2-3-4(5)6/h2H,1,3H2
InChI Key:
UGIBESQVHLYXMX-UHFFFAOYSA-N
SMILES:
BrC(=O)CC=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:
1.6
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