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Home > Bromides > 1331560-65-6
1331560-65-6 | 3-Buten-2-one, 4-(3-bromo-4-methoxyphenyl)-
CAS No: 1331560-65-6 Catalog No: AG0014CG MDL No:MFCD20286548
Product Description
Catalog Number:
AG0014CG
Chemical Name:
3-Buten-2-one, 4-(3-bromo-4-methoxyphenyl)-
CAS Number:
1331560-65-6
Molecular Formula:
C11H11BrO2
Molecular Weight:
255.1078
MDL Number:
MFCD20286548
IUPAC Name:
4-(3-bromo-4-methoxyphenyl)but-3-en-2-one
InChI:
InChI=1S/C11H11BrO2/c1-8(13)3-4-9-5-6-11(14-2)10(12)7-9/h3-7H,1-2H3
InChI Key:
AOVJTAMOQFOZJZ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1Br)C=CC(=O)C
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.994g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.111g/mol
Monoisotopic Mass:
253.994g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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