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Home > Boronic Acids > 871125-81-4
871125-81-4 | (3-Bromo-5-isopropoxyphenyl);boronic acid
CAS No: 871125-81-4 Catalog No: AG003J2Z MDL No:MFCD07784398
Product Description
Catalog Number:
AG003J2Z
Chemical Name:
(3-Bromo-5-isopropoxyphenyl);boronic acid
CAS Number:
871125-81-4
Molecular Formula:
C9H12BBrO3
Molecular Weight:
258.9048
MDL Number:
MFCD07784398
IUPAC Name:
(3-bromo-5-propan-2-yloxyphenyl)boronic acid
InChI:
InChI=1S/C9H12BBrO3/c1-6(2)14-9-4-7(10(12)13)3-8(11)5-9/h3-6,12-13H,1-2H3
InChI Key:
OYCQIPZXNTZLQQ-UHFFFAOYSA-N
SMILES:
CC(Oc1cc(cc(c1)Br)B(O)O)C
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.006g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.906g/mol
Monoisotopic Mass:
258.006g/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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