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Home > Boronic Acids > 870718-01-7
870718-01-7 | (3-Bromo-2-isopropoxy-5-methylphenyl)boronic acid
CAS No: 870718-01-7 Catalog No: AG003J0M MDL No:MFCD04974111
Product Description
Catalog Number:
AG003J0M
Chemical Name:
(3-Bromo-2-isopropoxy-5-methylphenyl)boronic acid
CAS Number:
870718-01-7
Molecular Formula:
C10H14BBrO3
Molecular Weight:
272.9314
MDL Number:
MFCD04974111
IUPAC Name:
(3-bromo-5-methyl-2-propan-2-yloxyphenyl)boronic acid
InChI:
InChI=1S/C10H14BBrO3/c1-6(2)15-10-8(11(13)14)4-7(3)5-9(10)12/h4-6,13-14H,1-3H3
InChI Key:
VTDMHYFQQWORBC-UHFFFAOYSA-N
SMILES:
CC(Oc1c(Br)cc(cc1B(O)O)C)C
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.022g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
272.933g/mol
Monoisotopic Mass:
272.022g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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