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146900-52-9 | 2H-1-Benzopyran-2-one, 3-bromo-7-hydroxy-
CAS No: 146900-52-9 Catalog No: AG001EF2 MDL No:
Product Description
Catalog Number:
AG001EF2
Chemical Name:
2H-1-Benzopyran-2-one, 3-bromo-7-hydroxy-
CAS Number:
146900-52-9
Molecular Formula:
C9H5BrO3
Molecular Weight:
241.0382
IUPAC Name:
3-bromo-7-hydroxychromen-2-one
InChI:
InChI=1S/C9H5BrO3/c10-7-3-5-1-2-6(11)4-8(5)13-9(7)12/h1-4,11H
InChI Key:
KTJJENNDBOOPSS-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)oc(=O)c(c2)Br
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.942g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.04g/mol
Monoisotopic Mass:
239.942g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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