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Home > Boronic Acids > 870718-02-8
870718-02-8 | (3-Bromo-5-methyl-2-propoxyphenyl)boronic acid
CAS No: 870718-02-8 Catalog No: AG003J34 MDL No:MFCD04974112
Product Description
Catalog Number:
AG003J34
Chemical Name:
(3-Bromo-5-methyl-2-propoxyphenyl)boronic acid
CAS Number:
870718-02-8
Molecular Formula:
C10H14BBrO3
Molecular Weight:
272.9314
MDL Number:
MFCD04974112
IUPAC Name:
(3-bromo-5-methyl-2-propoxyphenyl)boronic acid
InChI:
InChI=1S/C10H14BBrO3/c1-3-4-15-10-8(11(13)14)5-7(2)6-9(10)12/h5-6,13-14H,3-4H2,1-2H3
InChI Key:
VRLCLUBYCOQMKY-UHFFFAOYSA-N
SMILES:
CCCOc1c(Br)cc(cc1B(O)O)C
Properties
Complexity:
192
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:
4
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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