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89434-04-8 | 4-Fluoroindole-3-acetonitrile
CAS No: 89434-04-8 Catalog No: AG0043JT MDL No:MFCD04972070
Product Description
Catalog Number:
AG0043JT
Chemical Name:
4-Fluoroindole-3-acetonitrile
CAS Number:
89434-04-8
Molecular Formula:
C10H7FN2
Molecular Weight:
174.1744
MDL Number:
MFCD04972070
IUPAC Name:
2-(4-fluoro-1H-indol-3-yl)acetonitrile
InChI:
InChI=1S/C10H7FN2/c11-8-2-1-3-9-10(8)7(4-5-12)6-13-9/h1-3,6,13H,4H2
InChI Key:
IPYQJGRIWFMMMH-UHFFFAOYSA-N
SMILES:
N#CCc1c[nH]c2c1c(F)ccc2
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
174.178g/mol
Monoisotopic Mass:
174.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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