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101819-51-6 | 1(2H)-Naphthalenone, 5-bromo-3,4-dihydro-8-hydroxy-
CAS No: 101819-51-6 Catalog No: AG0005MW MDL No:
Product Description
Catalog Number:
AG0005MW
Chemical Name:
1(2H)-Naphthalenone, 5-bromo-3,4-dihydro-8-hydroxy-
CAS Number:
101819-51-6
Molecular Formula:
C10H9BrO2
Molecular Weight:
241.0813
IUPAC Name:
5-bromo-8-hydroxy-3,4-dihydro-2H-naphthalen-1-one
InChI:
InChI=1S/C10H9BrO2/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h4-5,13H,1-3H2
InChI Key:
QALFVVUGULYHSN-UHFFFAOYSA-N
SMILES:
Brc1ccc(c2c1CCCC2=O)O
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.979g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.084g/mol
Monoisotopic Mass:
239.979g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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