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Home > Boronic Acids > 1072951-86-0
1072951-86-0 | (3-Bromo-5-formyl-2-isopropoxyphenyl);boronic acid
CAS No: 1072951-86-0 Catalog No: AG003J0L MDL No:MFCD09750471
Product Description
Catalog Number:
AG003J0L
Chemical Name:
(3-Bromo-5-formyl-2-isopropoxyphenyl);boronic acid
CAS Number:
1072951-86-0
Molecular Formula:
C10H12BBrO4
Molecular Weight:
286.9149
MDL Number:
MFCD09750471
IUPAC Name:
(3-bromo-5-formyl-2-propan-2-yloxyphenyl)boronic acid
InChI:
InChI=1S/C10H12BBrO4/c1-6(2)16-10-8(11(14)15)3-7(5-13)4-9(10)12/h3-6,14-15H,1-2H3
InChI Key:
JDRHFOMNQQEZJZ-UHFFFAOYSA-N
SMILES:
O=Cc1cc(Br)c(c(c1)B(O)O)OC(C)C
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.001g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
286.916g/mol
Monoisotopic Mass:
286.001g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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