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117098-94-9 | 2,1-Benzoxaborol-6-amine, 1,3-dihydro-1-hydroxy-
CAS No: 117098-94-9 Catalog No: AG000DPZ MDL No:MFCD14584713
Product Description
Catalog Number:
AG000DPZ
Chemical Name:
2,1-Benzoxaborol-6-amine, 1,3-dihydro-1-hydroxy-
CAS Number:
117098-94-9
Molecular Formula:
C7H8BNO2
Molecular Weight:
148.9549
MDL Number:
MFCD14584713
IUPAC Name:
1-hydroxy-3H-2,1-benzoxaborol-6-amine
InChI:
InChI=1S/C7H8BNO2/c9-6-2-1-5-4-11-8(10)7(5)3-6/h1-3,10H,4,9H2
InChI Key:
USCKQKQTFCBECF-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)B(O)OC2
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.065g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
148.956g/mol
Monoisotopic Mass:
149.065g/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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