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1072152-50-1 | 5-Bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
CAS No: 1072152-50-1 Catalog No: AG0094JR MDL No:MFCD10574985
Product Description
Catalog Number:
AG0094JR
Chemical Name:
5-Bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
CAS Number:
1072152-50-1
Molecular Formula:
C13H16BBrN2O2
Molecular Weight:
322.9933
MDL Number:
MFCD10574985
IUPAC Name:
5-bromo-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C13H16BBrN2O2/c1-12(2)13(3,4)19-14(18-12)10-7-17-11-9(10)5-8(15)6-16-11/h5-7H,1-4H3,(H,16,17)
InChI Key:
HBAJAQXOPJTWPI-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1c[nH]c2c1cc(Br)cn2
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.049g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
322.997g/mol
Monoisotopic Mass:
322.049g/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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