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1093644-03-1 | 1,3-Dihydro-1-hydroxy-2,1-benzoxaborole-3-methanamine
CAS No: 1093644-03-1 Catalog No: AG0039GW MDL No:MFCD20726898
Product Description
Catalog Number:
AG0039GW
Chemical Name:
1,3-Dihydro-1-hydroxy-2,1-benzoxaborole-3-methanamine
CAS Number:
1093644-03-1
Molecular Formula:
C8H10BNO2
Molecular Weight:
162.9815
MDL Number:
MFCD20726898
IUPAC Name:
(1-hydroxy-3H-2,1-benzoxaborol-3-yl)methanamine
InChI:
InChI=1S/C8H10BNO2/c10-5-8-6-3-1-2-4-7(6)9(11)12-8/h1-4,8,11H,5,10H2
InChI Key:
CIBFETVOAAGXSK-UHFFFAOYSA-N
SMILES:
NCC1OB(c2c1cccc2)O
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.08g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
162.983g/mol
Monoisotopic Mass:
163.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Time-dependent, reversible, oxaborole inhibition of Escherichia coli leucyl-tRNA synthetase measured with a continuous fluorescence assay. | Analytical biochemistry 20121201 |
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