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1261844-48-7 | 1H-Pyrrolo[2,3-b]pyridine, 2-(difluoromethyl)-
CAS No: 1261844-48-7 Catalog No: AG000S1M MDL No:
Product Description
Catalog Number:
AG000S1M
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 2-(difluoromethyl)-
CAS Number:
1261844-48-7
Molecular Formula:
C8H6F2N2
Molecular Weight:
168.1434
IUPAC Name:
2-(difluoromethyl)-1H-pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C8H6F2N2/c9-7(10)6-4-5-2-1-3-11-8(5)12-6/h1-4,7H,(H,11,12)
InChI Key:
CSQUQRRHDBLZMH-UHFFFAOYSA-N
SMILES:
FC(c1cc2c([nH]1)nccc2)F
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.05g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.147g/mol
Monoisotopic Mass:
168.05g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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