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Home > Fluorides > 1142192-57-1
1142192-57-1 | 1H-Pyrrolo[2,3-b]pyridine, 3-iodo-5-(trifluoromethyl)-
CAS No: 1142192-57-1 Catalog No: AG000AUL MDL No:MFCD11857744
Product Description
Catalog Number:
AG000AUL
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 3-iodo-5-(trifluoromethyl)-
CAS Number:
1142192-57-1
Molecular Formula:
C8H4F3IN2
Molecular Weight:
312.0304
MDL Number:
MFCD11857744
IUPAC Name:
3-iodo-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C8H4F3IN2/c9-8(10,11)4-1-5-6(12)3-14-7(5)13-2-4/h1-3H,(H,13,14)
InChI Key:
NSRVALWCFIYTLR-UHFFFAOYSA-N
SMILES:
FC(c1cnc2c(c1)c(I)c[nH]2)(F)F
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.937g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.034g/mol
Monoisotopic Mass:
311.937g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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