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1021735-84-1

1021735-84-1 | tert-Butyl 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazol-3-ylcarbamate

CAS No: 1021735-84-1 Catalog No: AG00H9R9 MDL No:MFCD18383270

Product Description

Catalog Number:
AG00H9R9
Chemical Name:
tert-Butyl 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1h-pyrazol-3-ylcarbamate
CAS Number:
1021735-84-1
Molecular Formula:
C15H26BN3O4
Molecular Weight:
323.1956
MDL Number:
MFCD18383270
IUPAC Name:
tert-butyl N-[1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-3-yl]carbamate
InChI:
InChI=1S/C15H26BN3O4/c1-13(2,3)21-12(20)17-11-10(9-19(8)18-11)16-22-14(4,5)15(6,7)23-16/h9H,1-8H3,(H,17,18,20)
InChI Key:
AARRCLBLXYOMQP-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)Nc1nn(cc1B1OC(C(O1)(C)C)(C)C)C

Properties

Complexity:
448  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.202g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
323.2g/mol
Monoisotopic Mass:
323.202g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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