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Home > Boronic Acids > 950511-16-7
950511-16-7 | 3-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.0^{5,13}]trideca- 1(13),5,7,9,11-pentaene
CAS No: 950511-16-7 Catalog No: AG00IIP5 MDL No:MFCD20527125
Product Description
Catalog Number:
AG00IIP5
Chemical Name:
3-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.0^{5,13}]trideca- 1(13),5,7,9,11-pentaene
CAS Number:
950511-16-7
Molecular Formula:
C22H24B2N2O2
Molecular Weight:
370.0602
MDL Number:
MFCD20527125
IUPAC Name:
3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2,4-diaza-3-boratricyclo[7.3.1.05,13]trideca-1(12),5,7,9(13),10-pentaene
InChI:
InChI=1S/C22H24B2N2O2/c1-21(2)22(3,4)28-24(27-21)17-13-11-16(12-14-17)23-25-18-9-5-7-15-8-6-10-19(26-23)20(15)18/h5-14,25-26H,1-4H3
InChI Key:
ZSWRQIQPSFPHAY-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccc(cc1)B1Nc2cccc3c2c(N1)ccc3
Properties
Complexity:
543
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.202g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
370.066g/mol
Monoisotopic Mass:
370.202g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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