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Home > Bromides > 1440535-66-9
1440535-66-9 | 2H-3,1-Benzoxazine-2,4(1H)-dione, 6-bromo-7-fluoro-
CAS No: 1440535-66-9 Catalog No: AG001IU5 MDL No:
Product Description
Catalog Number:
AG001IU5
Chemical Name:
2H-3,1-Benzoxazine-2,4(1H)-dione, 6-bromo-7-fluoro-
CAS Number:
1440535-66-9
Molecular Formula:
C8H3BrFNO3
Molecular Weight:
260.0167
IUPAC Name:
6-bromo-7-fluoro-1H-3,1-benzoxazine-2,4-dione
InChI:
InChI=1S/C8H3BrFNO3/c9-4-1-3-6(2-5(4)10)11-8(13)14-7(3)12/h1-2H,(H,11,13)
InChI Key:
KSIGHJQLNMQVPU-UHFFFAOYSA-N
SMILES:
Brc1cc2c(cc1F)[nH]c(=O)oc2=O
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.928g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
260.018g/mol
Monoisotopic Mass:
258.928g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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