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18931-09-4 | 1H-Phenalen-1-one, 2-bromo-3-hydroxy-
CAS No: 18931-09-4 Catalog No: AG002I9H MDL No:
Product Description
Catalog Number:
AG002I9H
Chemical Name:
1H-Phenalen-1-one, 2-bromo-3-hydroxy-
CAS Number:
18931-09-4
Molecular Formula:
C13H7BrO2
Molecular Weight:
275.0975
IUPAC Name:
2-bromo-3-hydroxyphenalen-1-one
InChI:
InChI=1S/C13H7BrO2/c14-11-12(15)8-5-1-3-7-4-2-6-9(10(7)8)13(11)16/h1-6,15H
InChI Key:
HVZGTGBWFLKROJ-UHFFFAOYSA-N
SMILES:
BrC1=C(O)c2cccc3c2c(C1=O)ccc3
Properties
Complexity:
361
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:
1
Isotope Atom Count:
0
Molecular Weight:
275.101g/mol
Monoisotopic Mass:
273.963g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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