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Home > Boronic Acids > 1414475-01-6
1414475-01-6 | Carbamic acid, N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]ethyl]-, 1,1-dimethylethyl ester
CAS No: 1414475-01-6 Catalog No: AG001GE9 MDL No:
Product Description
Catalog Number:
AG001GE9
Chemical Name:
Carbamic acid, N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]ethyl]-, 1,1-dimethylethyl ester
CAS Number:
1414475-01-6
Molecular Formula:
C16H28BN3O4
Molecular Weight:
337.2222
IUPAC Name:
tert-butyl N-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]carbamate
InChI:
InChI=1S/C16H28BN3O4/c1-14(2,3)22-13(21)18-8-9-20-11-12(10-19-20)17-23-15(4,5)16(6,7)24-17/h10-11H,8-9H2,1-7H3,(H,18,21)
InChI Key:
REFRJKFVMSRUEM-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCCn1ncc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.217g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
337.227g/mol
Monoisotopic Mass:
337.217g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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