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Home > Boronic Acids > 374790-97-3
374790-97-3 | 4-BROMO-3-FLUOROBENZENEBORONIC ACID
CAS No: 374790-97-3 Catalog No: AG00BYGG MDL No:MFCD02093066
Product Description
Catalog Number:
AG00BYGG
Chemical Name:
4-BROMO-3-FLUOROBENZENEBORONIC ACID
CAS Number:
374790-97-3
Molecular Formula:
C6H5BBrFO2
Molecular Weight:
218.8161
MDL Number:
MFCD02093066
IUPAC Name:
(4-bromo-3-fluorophenyl)boronic acid
InChI:
InChI=1S/C6H5BBrFO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,10-11H
InChI Key:
ACLQPRPXJMWADE-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c(c1)F)Br)O
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.955g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.816g/mol
Monoisotopic Mass:
217.955g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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