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175204-92-9 | 1-Butanone, 4-bromo-1-(2,4,6-trimethylphenyl)-
CAS No: 175204-92-9 Catalog No: AG0020NS MDL No:
Product Description
Catalog Number:
AG0020NS
Chemical Name:
1-Butanone, 4-bromo-1-(2,4,6-trimethylphenyl)-
CAS Number:
175204-92-9
Molecular Formula:
C13H17BrO
Molecular Weight:
269.1775
IUPAC Name:
4-bromo-1-(2,4,6-trimethylphenyl)butan-1-one
InChI:
InChI=1S/C13H17BrO/c1-9-7-10(2)13(11(3)8-9)12(15)5-4-6-14/h7-8H,4-6H2,1-3H3
InChI Key:
VKMIFETZXWDLGN-UHFFFAOYSA-N
SMILES:
BrCCCC(=O)c1c(C)cc(cc1C)C
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.182g/mol
Monoisotopic Mass:
268.046g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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