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116096-84-5 | 2H-1-Benzopyran-2-one, 6,8-dibromo-7-hydroxy-
CAS No: 116096-84-5 Catalog No: AG000BM8 MDL No:
Product Description
Catalog Number:
AG000BM8
Chemical Name:
2H-1-Benzopyran-2-one, 6,8-dibromo-7-hydroxy-
CAS Number:
116096-84-5
Molecular Formula:
C9H4Br2O3
Molecular Weight:
319.9343
IUPAC Name:
6,8-dibromo-7-hydroxychromen-2-one
InChI:
InChI=1S/C9H4Br2O3/c10-5-3-4-1-2-6(12)14-9(4)7(11)8(5)13/h1-3,13H
InChI Key:
CBPTZAXVRWUWCU-UHFFFAOYSA-N
SMILES:
O=c1ccc2c(o1)c(Br)c(c(c2)Br)O
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.851g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.936g/mol
Monoisotopic Mass:
317.853g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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