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75705-21-4 | 4-Aminomethylphenylboronic acid hydrochloride
CAS No: 75705-21-4 Catalog No: AG005IU3 MDL No:MFCD01632199
Product Description
Catalog Number:
AG005IU3
Chemical Name:
4-Aminomethylphenylboronic acid hydrochloride
CAS Number:
75705-21-4
Molecular Formula:
C7H11BClNO2
Molecular Weight:
187.4317
MDL Number:
MFCD01632199
IUPAC Name:
[4-(aminomethyl)phenyl]boronic acid;hydrochloride
InChI:
InChI=1S/C7H10BNO2.ClH/c9-5-6-1-3-7(4-2-6)8(10)11;/h1-4,10-11H,5,9H2;1H
InChI Key:
HUZNRXFJHYNUMV-UHFFFAOYSA-N
SMILES:
NCc1ccc(cc1)B(O)O.Cl
Properties
Complexity:
113
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.057g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
187.43g/mol
Monoisotopic Mass:
187.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Synthesis and in vitro biological evaluation of aryl boronic acids as potential inhibitors of factor XIa. | Bioorganic & medicinal chemistry letters 20061001 |
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