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132873-53-1 | 2H-1-Benzopyran-3(4H)-one, 5-bromo-
CAS No: 132873-53-1 Catalog No: AG0011B7 MDL No:MFCD12828268
Product Description
Catalog Number:
AG0011B7
Chemical Name:
2H-1-Benzopyran-3(4H)-one, 5-bromo-
CAS Number:
132873-53-1
Molecular Formula:
C9H7BrO2
Molecular Weight:
227.0547
MDL Number:
MFCD12828268
IUPAC Name:
5-bromo-4H-chromen-3-one
InChI:
InChI=1S/C9H7BrO2/c10-8-2-1-3-9-7(8)4-6(11)5-12-9/h1-3H,4-5H2
InChI Key:
DQEZEDNXYWWKJS-UHFFFAOYSA-N
SMILES:
O=C1COc2c(C1)c(Br)ccc2
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.963g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.057g/mol
Monoisotopic Mass:
225.963g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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