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101894-60-4 | 2H-1-Benzopyran-2-one, 3-[1-(4-bromophenyl)-3-oxobutyl]-4-hydroxy-
CAS No: 101894-60-4 Catalog No: AG0005UE MDL No:
Product Description
Catalog Number:
AG0005UE
Chemical Name:
2H-1-Benzopyran-2-one, 3-[1-(4-bromophenyl)-3-oxobutyl]-4-hydroxy-
CAS Number:
101894-60-4
Molecular Formula:
C19H15BrO4
Molecular Weight:
387.2240
IUPAC Name:
3-[1-(4-bromophenyl)-3-oxobutyl]-4-hydroxychromen-2-one
InChI:
InChI=1S/C19H15BrO4/c1-11(21)10-15(12-6-8-13(20)9-7-12)17-18(22)14-4-2-3-5-16(14)24-19(17)23/h2-9,15,22H,10H2,1H3
InChI Key:
BETKRMNVGKYPFH-UHFFFAOYSA-N
SMILES:
CC(=O)CC(c1c(=O)oc2c(c1O)cccc2)c1ccc(cc1)Br
Properties
Complexity:
534
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
386.015g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
387.229g/mol
Monoisotopic Mass:
386.015g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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