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Home > Boronic Acids > 1218790-15-8
1218790-15-8 | Benzonitrile, 3-chloro-4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1218790-15-8 Catalog No: AG00167W MDL No:MFCD15143597
Product Description
Catalog Number:
AG00167W
Chemical Name:
Benzonitrile, 3-chloro-4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1218790-15-8
Molecular Formula:
C13H14BClFNO2
Molecular Weight:
281.5182
MDL Number:
MFCD15143597
IUPAC Name:
3-chloro-4-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile
InChI:
InChI=1S/C13H14BClFNO2/c1-12(2)13(3,4)19-14(18-12)9-5-8(7-17)6-10(15)11(9)16/h5-6H,1-4H3
InChI Key:
RTOGPVMSCHKPTC-UHFFFAOYSA-N
SMILES:
N#Cc1cc(B2OC(C(O2)(C)C)(C)C)c(c(c1)Cl)F
Properties
Complexity:
393
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.079g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.518g/mol
Monoisotopic Mass:
281.079g/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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