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144663-93-4 | 2H-1-Benzopyran-2-one, 3-(2-bromoacetyl)-7-methoxy-
CAS No: 144663-93-4 Catalog No: AG001JXX MDL No:
Product Description
Catalog Number:
AG001JXX
Chemical Name:
2H-1-Benzopyran-2-one, 3-(2-bromoacetyl)-7-methoxy-
CAS Number:
144663-93-4
Molecular Formula:
C12H9BrO4
Molecular Weight:
297.1015
IUPAC Name:
3-(2-bromoacetyl)-7-methoxychromen-2-one
InChI:
InChI=1S/C12H9BrO4/c1-16-8-3-2-7-4-9(10(14)6-13)12(15)17-11(7)5-8/h2-5H,6H2,1H3
InChI Key:
GPRQJWPGEGOQMA-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1cc2ccc(cc2oc1=O)OC
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.968g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.104g/mol
Monoisotopic Mass:
295.968g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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