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Home > Boronic Acids > 917223-87-1
917223-87-1 | 3-Borono-5-fluoro-4-methylbenzoic acid
CAS No: 917223-87-1 Catalog No: AG00H2U1 MDL No:MFCD19440934
Product Description
Catalog Number:
AG00H2U1
Chemical Name:
3-Borono-5-fluoro-4-methylbenzoic acid
CAS Number:
917223-87-1
MDL Number:
MFCD19440934
IUPAC Name:
3-borono-5-fluoro-4-methylbenzoic acid
InChI:
InChI=1S/C8H8BFO4/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10/h2-3,13-14H,1H3,(H,11,12)
InChI Key:
KLHYMSYPRCYQQZ-UHFFFAOYSA-N
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.05g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
197.956g/mol
Monoisotopic Mass:
198.05g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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