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Home > Boronic Acids > 91783-81-2
91783-81-2 | 1-hydroxy-1,3-dihydro-2,1-benzoxaborole-3-carbonitrile
CAS No: 91783-81-2 Catalog No: AG006C58 MDL No:
Product Description
Catalog Number:
AG006C58
Chemical Name:
1-hydroxy-1,3-dihydro-2,1-benzoxaborole-3-carbonitrile
CAS Number:
91783-81-2
Molecular Formula:
C8H6BNO2
Molecular Weight:
158.9497
IUPAC Name:
1-hydroxy-3H-2,1-benzoxaborole-3-carbonitrile
InChI:
InChI=1S/C8H6BNO2/c10-5-8-6-3-1-2-4-7(6)9(11)12-8/h1-4,8,11H
InChI Key:
BJNNBQATNNLVSS-UHFFFAOYSA-N
SMILES:
N#CC1OB(c2c1cccc2)O
NSC Number:
157835
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.049g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.951g/mol
Monoisotopic Mass:
159.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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