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117134-82-4 | 4H-1-Benzopyran-4-one, 3-(2-bromoacetyl)-2,6-dimethyl-
CAS No: 117134-82-4 Catalog No: AG000DRU MDL No:
Product Description
Catalog Number:
AG000DRU
Chemical Name:
4H-1-Benzopyran-4-one, 3-(2-bromoacetyl)-2,6-dimethyl-
CAS Number:
117134-82-4
Molecular Formula:
C13H11BrO3
Molecular Weight:
295.1286
IUPAC Name:
3-(2-bromoacetyl)-2,6-dimethylchromen-4-one
InChI:
InChI=1S/C13H11BrO3/c1-7-3-4-11-9(5-7)13(16)12(8(2)17-11)10(15)6-14/h3-5H,6H2,1-2H3
InChI Key:
GALPEPYVIVZVSG-UHFFFAOYSA-N
SMILES:
Cc1oc2ccc(cc2c(=O)c1C(=O)CBr)C
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.989g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.132g/mol
Monoisotopic Mass:
293.989g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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