Home Nitriles 1-hydroxy-1,3-dihydro-2,1-benzoxaborole-6-carbonitrile

1-hydroxy-1,3-dihydro-2,1-benzoxaborole-6-carbonitrile

CAS No.:
947162-60-9
Catalog Number:
AG01C59L
Molecular Formula:
C8H6BNO2
Molecular Weight:
158.9497
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Product Description
Catalog Number:
AG01C59L
Chemical Name:
1-hydroxy-1,3-dihydro-2,1-benzoxaborole-6-carbonitrile
CAS Number:
947162-60-9
Molecular Formula:
C8H6BNO2
Molecular Weight:
158.9497
MDL Number:
MFCD22571530
IUPAC Name:
1-hydroxy-3H-2,1-benzoxaborole-6-carbonitrile
InChI:
InChI=1S/C8H6BNO2/c10-4-6-1-2-7-5-12-9(11)8(7)3-6/h1-3,11H,5H2
InChI Key:
BVHJQLCNDBJUEC-UHFFFAOYSA-N
SMILES:
N#Cc1ccc2c(c1)B(O)OC2
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:
0
Undefined Bond Stereocenter Count:
0
Properties