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117098-93-8 | 2,1-Benzoxaborol-6-amine, 1,3-dihydro-1-hydroxy-, hydrochloride (1:1)
CAS No: 117098-93-8 Catalog No: AG000DQ0 MDL No:MFCD04115645
Product Description
Catalog Number:
AG000DQ0
Chemical Name:
2,1-Benzoxaborol-6-amine, 1,3-dihydro-1-hydroxy-, hydrochloride (1:1)
CAS Number:
117098-93-8
Molecular Formula:
C7H9BClNO2
Molecular Weight:
185.4159
MDL Number:
MFCD04115645
IUPAC Name:
1-hydroxy-3H-2,1-benzoxaborol-6-amine;hydrochloride
InChI:
InChI=1S/C7H8BNO2.ClH/c9-6-2-1-5-4-11-8(10)7(5)3-6;/h1-3,10H,4,9H2;1H
InChI Key:
ZDCBDYGPSUVCOU-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)B(O)OC2.Cl
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.041g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
185.414g/mol
Monoisotopic Mass:
185.041g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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