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Home > Boronic Acids > 851756-50-8
851756-50-8 | (2,6-Dibromophenyl);boronic acid
CAS No: 851756-50-8 Catalog No: AG003G2J MDL No:MFCD11656174
Product Description
Catalog Number:
AG003G2J
Chemical Name:
(2,6-Dibromophenyl);boronic acid
CAS Number:
851756-50-8
Molecular Formula:
C6H5BBr2O2
Molecular Weight:
279.7217
MDL Number:
MFCD11656174
IUPAC Name:
(2,6-dibromophenyl)boronic acid
InChI:
InChI=1S/C6H5BBr2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,10-11H
InChI Key:
VDYVCYLLOZQUBR-UHFFFAOYSA-N
SMILES:
OB(c1c(Br)cccc1Br)O
Properties
Complexity:
124
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.873g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
279.722g/mol
Monoisotopic Mass:
277.875g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| A solid-state (11)b NMR and computational study of boron electric field gradient and chemical shift tensors in boronic acids and boronic esters. | The journal of physical chemistry. A 20100422 |
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