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Home > Boronic Acids > 89799-28-0
89799-28-0 | 1H-1,3,2-Benzodiazaborole, 2,3-dihydro-
CAS No: 89799-28-0 Catalog No: AG003ZDG MDL No:
Product Description
Catalog Number:
AG003ZDG
Chemical Name:
1H-1,3,2-Benzodiazaborole, 2,3-dihydro-
CAS Number:
89799-28-0
Molecular Formula:
C6H7BN2
Molecular Weight:
117.9442
InChI:
InChI=1S/C6H6BN2/c1-2-4-6-5(3-1)8-7-9-6/h1-4,8-9H
InChI Key:
QULCFJLPUPBQNY-UHFFFAOYSA-N
SMILES:
B1Nc2c(N1)cccc2
Properties
Complexity:
95.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
117.062g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
116.938g/mol
Monoisotopic Mass:
117.062g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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