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950846-26-1

950846-26-1 | (4-bromo-2,5-dimethoxyphenyl)boronic acid

CAS No: 950846-26-1 Catalog No: AG00IIQ7 MDL No:MFCD07778019

Product Description

Catalog Number:
AG00IIQ7
Chemical Name:
(4-bromo-2,5-dimethoxyphenyl)boronic acid
CAS Number:
950846-26-1
Molecular Formula:
C8H10BBrO4
Molecular Weight:
260.8776
MDL Number:
MFCD07778019
IUPAC Name:
(4-bromo-2,5-dimethoxyphenyl)boronic acid
InChI:
InChI=1S/C8H10BBrO4/c1-13-7-4-6(10)8(14-2)3-5(7)9(11)12/h3-4,11-12H,1-2H3
InChI Key:
VFSKPPVNGHKIFE-UHFFFAOYSA-N
SMILES:
COc1cc(B(O)O)c(cc1Br)OC

Properties

Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.986g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
260.878g/mol
Monoisotopic Mass:
259.986g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
58.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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