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Home > Boronic Acids > 1072951-80-4
1072951-80-4 | (3-Bromo-5-formyl-2-methoxyphenyl);boronic acid
CAS No: 1072951-80-4 Catalog No: AG003J2X MDL No:MFCD09265141
Product Description
Catalog Number:
AG003J2X
Chemical Name:
(3-Bromo-5-formyl-2-methoxyphenyl);boronic acid
CAS Number:
1072951-80-4
Molecular Formula:
C8H8BBrO4
Molecular Weight:
258.8617
MDL Number:
MFCD09265141
IUPAC Name:
(3-bromo-5-formyl-2-methoxyphenyl)boronic acid
InChI:
InChI=1S/C8H8BBrO4/c1-14-8-6(9(12)13)2-5(4-11)3-7(8)10/h2-4,12-13H,1H3
InChI Key:
UUPRSFVSYMWVRC-UHFFFAOYSA-N
SMILES:
COc1c(Br)cc(cc1B(O)O)C=O
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.97g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.862g/mol
Monoisotopic Mass:
257.97g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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