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14804-55-8 | 2-Butenal, 3-bromo-
CAS No: 14804-55-8 Catalog No: AG001FE8 MDL No:
Product Description
Catalog Number:
AG001FE8
Chemical Name:
2-Butenal, 3-bromo-
CAS Number:
14804-55-8
Molecular Formula:
C4H5BrO
Molecular Weight:
148.9859
IUPAC Name:
3-bromobut-2-enal
InChI:
InChI=1S/C4H5BrO/c1-4(5)2-3-6/h2-3H,1H3
InChI Key:
YXUMKCALEMGCQT-UHFFFAOYSA-N
SMILES:
CC(=CC=O)Br
Properties
Complexity:
75.6
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:
1
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1
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