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Home > Bromides > 1799434-50-6
1799434-50-6 | 2-Naphthalenol, 7-bromo-1-fluoro-, 2-acetate
CAS No: 1799434-50-6 Catalog No: AG0021HE MDL No:
Product Description
Catalog Number:
AG0021HE
Chemical Name:
2-Naphthalenol, 7-bromo-1-fluoro-, 2-acetate
CAS Number:
1799434-50-6
Molecular Formula:
C12H8BrFO2
Molecular Weight:
283.0931
IUPAC Name:
(7-bromo-1-fluoronaphthalen-2-yl) acetate
InChI:
InChI=1S/C12H8BrFO2/c1-7(15)16-11-5-3-8-2-4-9(13)6-10(8)12(11)14/h2-6H,1H3
InChI Key:
UPOXYFDTZLCBBA-UHFFFAOYSA-N
SMILES:
CC(=O)Oc1ccc2c(c1F)cc(cc2)Br
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.969g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.096g/mol
Monoisotopic Mass:
281.969g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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