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Home > Boronic Acids > 120986-85-8
120986-85-8 | (5-Bromopentyl);boronic acid
CAS No: 120986-85-8 Catalog No: AG003BXS MDL No:MFCD10000909
Product Description
Catalog Number:
AG003BXS
Chemical Name:
(5-Bromopentyl);boronic acid
CAS Number:
120986-85-8
Molecular Formula:
C5H12BBrO2
Molecular Weight:
194.8626
MDL Number:
MFCD10000909
IUPAC Name:
5-bromopentylboronic acid
InChI:
InChI=1S/C5H12BBrO2/c7-5-3-1-2-4-6(8)9/h8-9H,1-5H2
InChI Key:
RCBNHBWNONFWHR-UHFFFAOYSA-N
SMILES:
BrCCCCCB(O)O
Properties
Complexity:
60.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.011g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
194.863g/mol
Monoisotopic Mass:
194.011g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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