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Home > Boronic Acids > 718640-74-5
718640-74-5 | Benzonitrile, 3-(1,3,2-dioxaborolan-2-yl)-
CAS No: 718640-74-5 Catalog No: AG0061V9 MDL No:
Product Description
Catalog Number:
AG0061V9
Chemical Name:
Benzonitrile, 3-(1,3,2-dioxaborolan-2-yl)-
CAS Number:
718640-74-5
Molecular Formula:
C9H8BNO2
Molecular Weight:
172.9763
IUPAC Name:
3-(1,3,2-dioxaborolan-2-yl)benzonitrile
InChI:
InChI=1S/C9H8BNO2/c11-7-8-2-1-3-9(6-8)10-12-4-5-13-10/h1-3,6H,4-5H2
InChI Key:
GDUXKUYAOLDWIU-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)B1OCCO1
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.065g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.978g/mol
Monoisotopic Mass:
173.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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