Home Other Building Blocks 2-Bromo-9H-xanthen-9-one

2-Bromo-9H-xanthen-9-one

CAS No.:
56341-31-2
Catalog Number:
AG003782
Molecular Formula:
C13H7BrO2
Molecular Weight:
275.0975
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Product Description
Catalog Number:
AG003782
Chemical Name:
2-Bromo-9H-xanthen-9-one
CAS Number:
56341-31-2
Molecular Formula:
C13H7BrO2
Molecular Weight:
275.0975
MDL Number:
MFCD00089598
IUPAC Name:
2-bromoxanthen-9-one
InChI:
InChI=1S/C13H7BrO2/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h1-7H
InChI Key:
DYQUGFRRGGOYCA-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(=O)c1c(o2)cccc1
Properties
Complexity:
292  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.963g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.101g/mol
Monoisotopic Mass:
273.963g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Properties