1-(4-Chlorophenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea - CAS 874302-00-8
Catalog: |
BB069624 |
Product Name: |
1-(4-Chlorophenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea |
CAS: |
874302-00-8 |
Synonyms: |
1-(4-Chlorophenyl)-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea; 1-(4-Chlorophenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea; 1-(4-chlorophenyl)-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea |
IUPAC Name: | 1-(4-chlorophenyl)-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea |
Description: | 1-(4-Chlorophenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea |
Molecular Weight: | 372.65 |
Molecular Formula: | C19H22BClN2O3 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)NC(=O)NC3=CC=C(C=C3)Cl |
InChI: | InChI=1S/C19H22BClN2O3/c1-18(2)19(3,4)26-20(25-18)13-6-5-7-16(12-13)23-17(24)22-15-10-8-14(21)9-11-15/h5-12H,1-4H3,(H2,22,23,24) |
InChI Key: | YLKLBLPBMZYOIU-UHFFFAOYSA-N |
Complexity: | 493 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 372.1412004 |
Formal Charge: | 0 |
Heavy Atom Count: | 26 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 372.1412004 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 59.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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