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1273602-53-1 | 1-Naphthalenecarboxylic acid, 3-bromo-5,6,7,8-tetrahydro-5-oxo-
CAS No: 1273602-53-1 Catalog No: AG000WZC MDL No:MFCD18648303
Product Description
Catalog Number:
AG000WZC
Chemical Name:
1-Naphthalenecarboxylic acid, 3-bromo-5,6,7,8-tetrahydro-5-oxo-
CAS Number:
1273602-53-1
Molecular Formula:
C11H9BrO3
Molecular Weight:
269.0914
MDL Number:
MFCD18648303
IUPAC Name:
3-bromo-5-oxo-7,8-dihydro-6H-naphthalene-1-carboxylic acid
InChI:
InChI=1S/C11H9BrO3/c12-6-4-8-7(2-1-3-10(8)13)9(5-6)11(14)15/h4-5H,1-3H2,(H,14,15)
InChI Key:
GXGHYUYUTLETRT-UHFFFAOYSA-N
SMILES:
Brc1cc(C(=O)O)c2c(c1)C(=O)CCC2
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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