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89523-46-6 | 9-Phenanthrenol, 10-bromo-9,10-dihydro-, acetate, trans-
CAS No: 89523-46-6 Catalog No: AG003ZSS MDL No:
Product Description
Catalog Number:
AG003ZSS
Chemical Name:
9-Phenanthrenol, 10-bromo-9,10-dihydro-, acetate, trans-
CAS Number:
89523-46-6
Molecular Formula:
C16H15BrO3
Molecular Weight:
335.1925
IUPAC Name:
acetic acid;10-bromo-9,10-dihydrophenanthren-9-ol
InChI:
InChI=1S/C14H11BrO.C2H4O2/c15-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14(13)16;1-2(3)4/h1-8,13-14,16H;1H3,(H,3,4)
InChI Key:
FAPJWXHDNFSCAI-UHFFFAOYSA-N
SMILES:
O[C@H]1[C@H](Br)c2ccccc2c2c1cccc2.CC(=O)O
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.02g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
335.197g/mol
Monoisotopic Mass:
334.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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