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Home > Boronic Acids > 787591-43-9
787591-43-9 | (3-ISOCYANATO)BENZENEBORONIC ACID, PINACOL ESTER
CAS No: 787591-43-9 Catalog No: AG00G357 MDL No:MFCD06659827
Product Description
Catalog Number:
AG00G357
Chemical Name:
(3-ISOCYANATO)BENZENEBORONIC ACID, PINACOL ESTER
CAS Number:
787591-43-9
Molecular Formula:
C13H16BNO3
Molecular Weight:
245.0820
MDL Number:
MFCD06659827
IUPAC Name:
2-(3-isocyanatophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C13H16BNO3/c1-12(2)13(3,4)18-14(17-12)10-6-5-7-11(8-10)15-9-16/h5-8H,1-4H3
InChI Key:
VSAATWKRRDGVOD-UHFFFAOYSA-N
SMILES:
O=C=Nc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.122g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.085g/mol
Monoisotopic Mass:
245.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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