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Home > Boronic Acids > 756520-47-5
756520-47-5 | Carbamic acid, [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-,phenyl ester
CAS No: 756520-47-5 Catalog No: AG00ICNG MDL No:
Product Description
Catalog Number:
AG00ICNG
Chemical Name:
Carbamic acid, [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-,phenyl ester
CAS Number:
756520-47-5
Molecular Formula:
C19H22BNO4
Molecular Weight:
339.1933
IUPAC Name:
phenyl N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
InChI:
InChI=1S/C19H22BNO4/c1-18(2)19(3,4)25-20(24-18)14-10-12-15(13-11-14)21-17(22)23-16-8-6-5-7-9-16/h5-13H,1-4H3,(H,21,22)
InChI Key:
JTURKCDVNAXKIF-UHFFFAOYSA-N
SMILES:
O=C(Oc1ccccc1)Nc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
452
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.164g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
339.198g/mol
Monoisotopic Mass:
339.164g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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