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Home > Fluorides > 1190311-44-4
1190311-44-4 | 1H-Pyrrolo[3,2-b]pyridine, 6-(trifluoromethyl)-
CAS No: 1190311-44-4 Catalog No: AG000HHA MDL No:MFCD12963187
Product Description
Catalog Number:
AG000HHA
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine, 6-(trifluoromethyl)-
CAS Number:
1190311-44-4
Molecular Formula:
C8H5F3N2
Molecular Weight:
186.1339
MDL Number:
MFCD12963187
IUPAC Name:
6-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine
InChI:
InChI=1S/C8H5F3N2/c9-8(10,11)5-3-7-6(13-4-5)1-2-12-7/h1-4,12H
InChI Key:
SMLPVLYYZMPXBV-UHFFFAOYSA-N
SMILES:
FC(c1cnc2c(c1)[nH]cc2)(F)F
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.04g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.137g/mol
Monoisotopic Mass:
186.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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