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77252-28-9 | 9-Phenanthrenecarboxylic acid, 3-bromo-
CAS No: 77252-28-9 Catalog No: AG0054SK MDL No:
Product Description
Catalog Number:
AG0054SK
Chemical Name:
9-Phenanthrenecarboxylic acid, 3-bromo-
CAS Number:
77252-28-9
Molecular Formula:
C15H9BrO2
Molecular Weight:
301.1348
IUPAC Name:
3-bromophenanthrene-9-carboxylic acid
InChI:
InChI=1S/C15H9BrO2/c16-10-6-5-9-7-14(15(17)18)12-4-2-1-3-11(12)13(9)8-10/h1-8H,(H,17,18)
InChI Key:
HRWIHJOHNJHZNP-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c1ccccc1c(c2)C(=O)O
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.979g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.139g/mol
Monoisotopic Mass:
299.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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