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Home > Bromides > 1260008-29-4
1260008-29-4 | 4H-1-Benzopyran-4-one, 5-bromo-7-fluoro-2,3-dihydro-
CAS No: 1260008-29-4 Catalog No: AG000QPF MDL No:MFCD18208093
Product Description
Catalog Number:
AG000QPF
Chemical Name:
4H-1-Benzopyran-4-one, 5-bromo-7-fluoro-2,3-dihydro-
CAS Number:
1260008-29-4
Molecular Formula:
C9H6BrFO2
Molecular Weight:
245.0451
MDL Number:
MFCD18208093
IUPAC Name:
5-bromo-7-fluoro-2,3-dihydrochromen-4-one
InChI:
InChI=1S/C9H6BrFO2/c10-6-3-5(11)4-8-9(6)7(12)1-2-13-8/h3-4H,1-2H2
InChI Key:
HAVWPXAFESISPA-UHFFFAOYSA-N
SMILES:
Fc1cc2OCCC(=O)c2c(c1)Br
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.954g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.047g/mol
Monoisotopic Mass:
243.954g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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