200,000+ products from a single source!
sales@angenechem.com
20511-04-0 | 3-Buten-2-one, 4-(4-bromophenyl)-
CAS No: 20511-04-0 Catalog No: AG0029VT MDL No:
Product Description
Catalog Number:
AG0029VT
Chemical Name:
3-Buten-2-one, 4-(4-bromophenyl)-
CAS Number:
20511-04-0
Molecular Formula:
C10H9BrO
Molecular Weight:
225.0819
IUPAC Name:
(E)-4-(4-bromophenyl)but-3-en-2-one
InChI:
InChI=1S/C10H9BrO/c1-8(12)2-3-9-4-6-10(11)7-5-9/h2-7H,1H3/b3-2+
InChI Key:
ZQNVTVOTCKZKHJ-NSCUHMNNSA-N
SMILES:
CC(=O)C=Cc1ccc(cc1)Br
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
223.984g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.085g/mol
Monoisotopic Mass:
223.984g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Quantum chemical- and 3-D-QSAR (CoMFA) studies of benzalacetones and 1,1,1-trifluoro-4-phenyl-3-buten-2-ones. | Bioorganic & medicinal chemistry letters 20020902 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.