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864759-40-0 | Benzamide,N-(2-chloro-3-pyridinyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 864759-40-0 Catalog No: AG004QPF MDL No:
Product Description
Catalog Number:
AG004QPF
Chemical Name:
Benzamide,N-(2-chloro-3-pyridinyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
864759-40-0
Molecular Formula:
C18H20BClN2O3
Molecular Weight:
358.6270
IUPAC Name:
N-(2-chloropyridin-3-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
InChI:
InChI=1S/C18H20BClN2O3/c1-17(2)18(3,4)25-19(24-17)13-9-7-12(8-10-13)16(23)22-14-6-5-11-21-15(14)20/h5-11H,1-4H3,(H,22,23)
InChI Key:
BLCRLVXHFKWBOL-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)B1OC(C(O1)(C)C)(C)C)Nc1cccnc1Cl
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.126g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
358.629g/mol
Monoisotopic Mass:
358.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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