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Home > Boronic Acids > 631911-09-6
631911-09-6 | 3-Methyl-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzaMide
CAS No: 631911-09-6 Catalog No: AG00ELNT MDL No:MFCD18732747
Product Description
Catalog Number:
AG00ELNT
Chemical Name:
3-Methyl-4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)benzaMide
CAS Number:
631911-09-6
Molecular Formula:
C14H20BNO3
Molecular Weight:
261.1245
MDL Number:
MFCD18732747
IUPAC Name:
3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
InChI:
InChI=1S/C14H20BNO3/c1-9-8-10(12(16)17)6-7-11(9)15-18-13(2,3)14(4,5)19-15/h6-8H,1-5H3,(H2,16,17)
InChI Key:
APCPHCRRFATAOY-UHFFFAOYSA-N
SMILES:
Cc1cc(ccc1B1OC(C(O1)(C)C)(C)C)C(=O)N
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.154g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.128g/mol
Monoisotopic Mass:
261.154g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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