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Home > Boronic Acids > 1352796-63-4
1352796-63-4 | 4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-1,3-benzodiazole
CAS No: 1352796-63-4 Catalog No: AG00HU07 MDL No:MFCD27936294
Product Description
Catalog Number:
AG00HU07
Chemical Name:
4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)-3H-1,3-benzodiazole
CAS Number:
1352796-63-4
Molecular Formula:
C13H17BN2O2
Molecular Weight:
244.0973
MDL Number:
MFCD27936294
IUPAC Name:
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole
InChI:
InChI=1S/C13H17BN2O2/c1-12(2)13(3,4)18-14(17-12)9-6-5-7-10-11(9)16-8-15-10/h5-8H,1-4H3,(H,15,16)
InChI Key:
KXZFBGYHLMGGJF-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cccc2c1[nH]cn2
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.138g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.101g/mol
Monoisotopic Mass:
244.138g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
47.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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