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Home > Bromides > 1245647-11-3
1245647-11-3 | 2(1H)-Naphthalenone, 6-bromo-3,4-dihydro-7-methyl-
CAS No: 1245647-11-3 Catalog No: AG000MC3 MDL No:
Product Description
Catalog Number:
AG000MC3
Chemical Name:
2(1H)-Naphthalenone, 6-bromo-3,4-dihydro-7-methyl-
CAS Number:
1245647-11-3
Molecular Formula:
C11H11BrO
Molecular Weight:
239.1084
IUPAC Name:
6-bromo-7-methyl-3,4-dihydro-1H-naphthalen-2-one
InChI:
InChI=1S/C11H11BrO/c1-7-4-9-5-10(13)3-2-8(9)6-11(7)12/h4,6H,2-3,5H2,1H3
InChI Key:
KJSQALZVXCZTME-UHFFFAOYSA-N
SMILES:
O=C1CCc2c(C1)cc(c(c2)Br)C
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.999g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.112g/mol
Monoisotopic Mass:
237.999g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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