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Home > Boronic Acids > 850568-82-0
850568-82-0 | (2-(2-Bromoethyl)phenyl)boronic acid
CAS No: 850568-82-0 Catalog No: AG008GT5 MDL No:MFCD06659854
Product Description
Catalog Number:
AG008GT5
Chemical Name:
(2-(2-Bromoethyl)phenyl)boronic acid
CAS Number:
850568-82-0
Molecular Formula:
C8H10BBrO2
Molecular Weight:
228.8788
MDL Number:
MFCD06659854
IUPAC Name:
[2-(2-bromoethyl)phenyl]boronic acid
InChI:
InChI=1S/C8H10BBrO2/c10-6-5-7-3-1-2-4-8(7)9(11)12/h1-4,11-12H,5-6H2
InChI Key:
XIPVXKZTNMWBDZ-UHFFFAOYSA-N
SMILES:
BrCCc1ccccc1B(O)O
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.996g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.88g/mol
Monoisotopic Mass:
227.996g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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