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881-43-6 | 1-Butanone,2-bromo-1-(4-methoxyphenyl)-
CAS No: 881-43-6 Catalog No: AG004EES MDL No:MFCD00800964
Product Description
Catalog Number:
AG004EES
Chemical Name:
1-Butanone,2-bromo-1-(4-methoxyphenyl)-
CAS Number:
881-43-6
Molecular Formula:
C11H13BrO2
Molecular Weight:
257.1237
MDL Number:
MFCD00800964
IUPAC Name:
2-bromo-1-(4-methoxyphenyl)butan-1-one
InChI:
InChI=1S/C11H13BrO2/c1-3-10(12)11(13)8-4-6-9(14-2)7-5-8/h4-7,10H,3H2,1-2H3
InChI Key:
NYVCAOCEVSDWOB-UHFFFAOYSA-N
SMILES:
CCC(C(=O)c1ccc(cc1)OC)Br
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.01g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.127g/mol
Monoisotopic Mass:
256.01g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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