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942070-50-0 | 7-CHLORO-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRROLO[2,3-C]PYRIDINE
CAS No: 942070-50-0 Catalog No: AG0065YF MDL No:MFCD12405489
Product Description
Catalog Number:
AG0065YF
Chemical Name:
7-CHLORO-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRROLO[2,3-C]PYRIDINE
CAS Number:
942070-50-0
Molecular Formula:
C13H16BClN2O2
Molecular Weight:
278.5423
MDL Number:
MFCD12405489
IUPAC Name:
7-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-c]pyridine
InChI:
InChI=1S/C13H16BClN2O2/c1-12(2)13(3,4)19-14(18-12)9-7-8-5-6-16-11(15)10(8)17-9/h5-7,17H,1-4H3
InChI Key:
AUILFKILUDUEJP-UHFFFAOYSA-N
SMILES:
Clc1nccc2c1[nH]c(c2)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.099g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.543g/mol
Monoisotopic Mass:
278.099g/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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