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873302-14-8 | 4H-1-Benzopyran-4-one, 7-(3-bromopropoxy)-5-hydroxy-2-phenyl-
CAS No: 873302-14-8 Catalog No: AG004L1V MDL No:
Product Description
Catalog Number:
AG004L1V
Chemical Name:
4H-1-Benzopyran-4-one, 7-(3-bromopropoxy)-5-hydroxy-2-phenyl-
CAS Number:
873302-14-8
Molecular Formula:
C18H15BrO4
Molecular Weight:
375.2133
IUPAC Name:
7-(3-bromopropoxy)-5-hydroxy-2-phenylchromen-4-one
InChI:
InChI=1S/C18H15BrO4/c19-7-4-8-22-13-9-14(20)18-15(21)11-16(23-17(18)10-13)12-5-2-1-3-6-12/h1-3,5-6,9-11,20H,4,7-8H2
InChI Key:
IGBVXHRVPIKEIW-UHFFFAOYSA-N
SMILES:
BrCCCOc1cc(O)c2c(c1)oc(cc2=O)c1ccccc1
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
374.015g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
375.218g/mol
Monoisotopic Mass:
374.015g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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