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Home > Boronic Acids > 850568-67-1
850568-67-1 | 2-(4-Boronophenyl);-2-methylpropanenitrile
CAS No: 850568-67-1 Catalog No: AG008GT8 MDL No:MFCD06659832
Product Description
Catalog Number:
AG008GT8
Chemical Name:
2-(4-Boronophenyl);-2-methylpropanenitrile
CAS Number:
850568-67-1
Molecular Formula:
C10H12BNO2
Molecular Weight:
189.0188
MDL Number:
MFCD06659832
IUPAC Name:
[4-(2-cyanopropan-2-yl)phenyl]boronic acid
InChI:
InChI=1S/C10H12BNO2/c1-10(2,7-12)8-3-5-9(6-4-8)11(13)14/h3-6,13-14H,1-2H3
InChI Key:
BNXBFDTWYHAEIR-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)C(C#N)(C)C)O
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.096g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
189.021g/mol
Monoisotopic Mass:
189.096g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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