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1025719-20-3

1025719-20-3 | Benzoxazole, 2-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

CAS No: 1025719-20-3 Catalog No: AG0007S8 MDL No:MFCD12407273

Product Description

Catalog Number:
AG0007S8
Chemical Name:
Benzoxazole, 2-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1025719-20-3
Molecular Formula:
C14H18BNO3
Molecular Weight:
259.1086
MDL Number:
MFCD12407273
IUPAC Name:
2-methyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-benzoxazole
InChI:
InChI=1S/C14H18BNO3/c1-9-16-11-8-6-7-10(12(11)17-9)15-18-13(2,3)14(4,5)19-15/h6-8H,1-5H3
InChI Key:
ZXAPMRKCTBADND-UHFFFAOYSA-N
SMILES:
Cc1nc2c(o1)c(ccc2)B1OC(C(O1)(C)C)(C)C

Properties

Complexity:
345  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.138g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.112g/mol
Monoisotopic Mass:
259.138g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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