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89781-53-3 | 2-Naphthalenecarboxylic acid, 7-bromo-5,6,7,8-tetrahydro-8-oxo-
CAS No: 89781-53-3 Catalog No: AG003YNO MDL No:
Product Description
Catalog Number:
AG003YNO
Chemical Name:
2-Naphthalenecarboxylic acid, 7-bromo-5,6,7,8-tetrahydro-8-oxo-
CAS Number:
89781-53-3
Molecular Formula:
C11H9BrO3
Molecular Weight:
269.0914
IUPAC Name:
7-bromo-8-oxo-6,7-dihydro-5H-naphthalene-2-carboxylic acid
InChI:
InChI=1S/C11H9BrO3/c12-9-4-3-6-1-2-7(11(14)15)5-8(6)10(9)13/h1-2,5,9H,3-4H2,(H,14,15)
InChI Key:
YGDCUSQZLIHNCA-UHFFFAOYSA-N
SMILES:
BrC1CCc2c(C1=O)cc(cc2)C(=O)O
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.974g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.094g/mol
Monoisotopic Mass:
267.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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