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Home > Boronic Acids > 1072951-84-8
1072951-84-8 | (3-Bromo-5-butoxyphenyl);boronic acid
CAS No: 1072951-84-8 Catalog No: AG003BRB MDL No:MFCD08457637
Product Description
Catalog Number:
AG003BRB
Chemical Name:
(3-Bromo-5-butoxyphenyl);boronic acid
CAS Number:
1072951-84-8
Molecular Formula:
C10H14BBrO3
Molecular Weight:
272.9314
MDL Number:
MFCD08457637
IUPAC Name:
(3-bromo-5-butoxyphenyl)boronic acid
InChI:
InChI=1S/C10H14BBrO3/c1-2-3-4-15-10-6-8(11(13)14)5-9(12)7-10/h5-7,13-14H,2-4H2,1H3
InChI Key:
OWWZXOTWNAQSTF-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(Br)cc(c1)B(O)O
Properties
Complexity:
180
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:
5
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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