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Home > Boronic Acids > 957120-63-7
957120-63-7 | 3-Borono-5-bromo-2-fluorobenzoic acid
CAS No: 957120-63-7 Catalog No: AG00H80W MDL No:MFCD09800869
Product Description
Catalog Number:
AG00H80W
Chemical Name:
3-Borono-5-bromo-2-fluorobenzoic acid
CAS Number:
957120-63-7
Molecular Formula:
C7H5BBrFO4
Molecular Weight:
262.8256
MDL Number:
MFCD09800869
IUPAC Name:
3-borono-5-bromo-2-fluorobenzoic acid
InChI:
InChI=1S/C7H5BBrFO4/c9-3-1-4(7(11)12)6(10)5(2-3)8(13)14/h1-2,13-14H,(H,11,12)
InChI Key:
RFODFEHCGMALLT-UHFFFAOYSA-N
SMILES:
Brc1cc(B(O)O)c(c(c1)C(=O)O)F
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.945g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
262.825g/mol
Monoisotopic Mass:
261.945g/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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