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Home > Boronic Acids > 957034-33-2
957034-33-2 | (4-(3-Bromopropoxy);phenyl);boronic acid
CAS No: 957034-33-2 Catalog No: AG00H8L4 MDL No:MFCD09258751
Product Description
Catalog Number:
AG00H8L4
Chemical Name:
(4-(3-Bromopropoxy);phenyl);boronic acid
CAS Number:
957034-33-2
Molecular Formula:
C9H12BBrO3
Molecular Weight:
258.9048
MDL Number:
MFCD09258751
IUPAC Name:
[4-(3-bromopropoxy)phenyl]boronic acid
InChI:
InChI=1S/C9H12BBrO3/c11-6-1-7-14-9-4-2-8(3-5-9)10(12)13/h2-5,12-13H,1,6-7H2
InChI Key:
BKESUWDVKSJULT-UHFFFAOYSA-N
SMILES:
BrCCCOc1ccc(cc1)B(O)O
Properties
Complexity:
149
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:
5
Topological Polar Surface Area:
49.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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