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Home > Boronic Acids > 1107580-65-3
1107580-65-3 | (2-Bromo-6-chlorophenyl);boronic acid
CAS No: 1107580-65-3 Catalog No: AG003BLX MDL No:MFCD08701777
Product Description
Catalog Number:
AG003BLX
Chemical Name:
(2-Bromo-6-chlorophenyl);boronic acid
CAS Number:
1107580-65-3
Molecular Formula:
C6H5BBrClO2
Molecular Weight:
235.2707
MDL Number:
MFCD08701777
IUPAC Name:
(2-bromo-6-chlorophenyl)boronic acid
InChI:
InChI=1S/C6H5BBrClO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,10-11H
InChI Key:
FXNDJNORPGEJIP-UHFFFAOYSA-N
SMILES:
OB(c1c(Cl)cccc1Br)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:
233.925g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
235.268g/mol
Monoisotopic Mass:
233.925g/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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