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1701448-16-9

1701448-16-9 | (4-bromo-3-hydroxyphenyl)boronic acid

CAS No: 1701448-16-9 Catalog No: AG01DE06 MDL No:MFCD22491266

Product Description

Catalog Number:
AG01DE06
Chemical Name:
(4-bromo-3-hydroxyphenyl)boronic acid
CAS Number:
1701448-16-9
Molecular Formula:
C6H6BBrO3
Molecular Weight:
216.8250
MDL Number:
MFCD22491266
IUPAC Name:
(4-bromo-3-hydroxyphenyl)boronic acid
InChI:
InChI=1S/C6H6BBrO3/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,9-11H
InChI Key:
CJZSBTMJFVLOFA-UHFFFAOYSA-N
SMILES:
OB(c1ccc(c(c1)O)Br)O

Properties

Complexity:
133  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.959g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
216.825g/mol
Monoisotopic Mass:
215.959g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
60.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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