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Home > Boronic Acids > 918904-39-9
918904-39-9 | 3-Bromo-5-isobutoxyphenylboronic acid
CAS No: 918904-39-9 Catalog No: AG00GTEB MDL No:MFCD17214245
Product Description
Catalog Number:
AG00GTEB
Chemical Name:
3-Bromo-5-isobutoxyphenylboronic acid
CAS Number:
918904-39-9
Molecular Formula:
C10H14BBrO3
Molecular Weight:
272.9314
MDL Number:
MFCD17214245
IUPAC Name:
[3-bromo-5-(2-methylpropoxy)phenyl]boronic acid
InChI:
InChI=1S/C10H14BBrO3/c1-7(2)6-15-10-4-8(11(13)14)3-9(12)5-10/h3-5,7,13-14H,6H2,1-2H3
InChI Key:
IXGHRDWYMOJQRZ-UHFFFAOYSA-N
SMILES:
CC(COc1cc(Br)cc(c1)B(O)O)C
Properties
Complexity:
190
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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