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Home > Boronic Acids > 1701449-28-6
1701449-28-6 | 8-Fluoro-2,3-dihydro-1,4-benzoxazine-6-boronic acid
CAS No: 1701449-28-6 Catalog No: AG00HZDI MDL No:MFCD20441849
Product Description
Catalog Number:
AG00HZDI
Chemical Name:
8-Fluoro-2,3-dihydro-1,4-benzoxazine-6-boronic acid
CAS Number:
1701449-28-6
Molecular Formula:
C8H9BFNO3
Molecular Weight:
196.9714
MDL Number:
MFCD20441849
IUPAC Name:
(8-fluoro-3,4-dihydro-2H-1,4-benzoxazin-6-yl)boronic acid
InChI:
InChI=1S/C8H9BFNO3/c10-6-3-5(9(12)13)4-7-8(6)14-2-1-11-7/h3-4,11-13H,1-2H2
InChI Key:
WDQWWPUHGOOVME-UHFFFAOYSA-N
SMILES:
OB(c1cc2NCCOc2c(c1)F)O
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.066g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
196.972g/mol
Monoisotopic Mass:
197.066g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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