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263259-72-9 | 4H-1-Benzopyran-4-one, 6-bromo-2-[(1R)-1-hydroxyethyl]-
CAS No: 263259-72-9 Catalog No: AG002SQG MDL No:
Product Description
Catalog Number:
AG002SQG
Chemical Name:
4H-1-Benzopyran-4-one, 6-bromo-2-[(1R)-1-hydroxyethyl]-
CAS Number:
263259-72-9
Molecular Formula:
C11H9BrO3
Molecular Weight:
269.0914
IUPAC Name:
6-bromo-2-[(1R)-1-hydroxyethyl]chromen-4-one
InChI:
InChI=1S/C11H9BrO3/c1-6(13)11-5-9(14)8-4-7(12)2-3-10(8)15-11/h2-6,13H,1H3/t6-/m1/s1
InChI Key:
LUXVXAJFQWAILV-ZCFIWIBFSA-N
SMILES:
Brc1ccc2c(c1)c(=O)cc(o2)[C@H](O)C
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
267.974g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.094g/mol
Monoisotopic Mass:
267.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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