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105679-34-3 | 7-bromo-6-fluoro-3,4-dihydro-2H-1,4-benzoxazine
CAS No: 105679-34-3 Catalog No: AG01EL7J MDL No:MFCD28718153
Product Description
Catalog Number:
AG01EL7J
Chemical Name:
7-bromo-6-fluoro-3,4-dihydro-2H-1,4-benzoxazine
CAS Number:
105679-34-3
Molecular Formula:
C8H7BrFNO
Molecular Weight:
232.0497
MDL Number:
MFCD28718153
IUPAC Name:
7-bromo-6-fluoro-3,4-dihydro-2H-1,4-benzoxazine
InChI:
InChI=1S/C8H7BrFNO/c9-5-3-8-7(4-6(5)10)11-1-2-12-8/h3-4,11H,1-2H2
InChI Key:
HSTYCKSGBYAAAQ-UHFFFAOYSA-N
SMILES:
Brc1cc2OCCNc2cc1F
Properties
Complexity:
169
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.97g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.052g/mol
Monoisotopic Mass:
230.97g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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