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Home > Fluorides > 1190319-46-0
1190319-46-0 | 1H-Pyrrolo[3,2-b]pyridine, 2-methyl-7-(trifluoromethyl)-
CAS No: 1190319-46-0 Catalog No: AG000HUI MDL No:
Product Description
Catalog Number:
AG000HUI
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine, 2-methyl-7-(trifluoromethyl)-
CAS Number:
1190319-46-0
Molecular Formula:
C9H7F3N2
Molecular Weight:
200.1605
IUPAC Name:
2-methyl-7-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine
InChI:
InChI=1S/C9H7F3N2/c1-5-4-7-8(14-5)6(2-3-13-7)9(10,11)12/h2-4,14H,1H3
InChI Key:
PHVACPFOGGRULK-UHFFFAOYSA-N
SMILES:
Cc1cc2c([nH]1)c(ccn2)C(F)(F)F
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.056g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.164g/mol
Monoisotopic Mass:
200.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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