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1261025-10-8 | 1H-Indole-3-carboxaldehyde, 6-fluoro-, oxime
CAS No: 1261025-10-8 Catalog No: AG000RMD MDL No:
Product Description
Catalog Number:
AG000RMD
Chemical Name:
1H-Indole-3-carboxaldehyde, 6-fluoro-, oxime
CAS Number:
1261025-10-8
Molecular Formula:
C9H7FN2O
Molecular Weight:
178.1631
IUPAC Name:
(NE)-N-[(6-fluoro-1H-indol-3-yl)methylidene]hydroxylamine
InChI:
InChI=1S/C9H7FN2O/c10-7-1-2-8-6(5-12-13)4-11-9(8)3-7/h1-5,11,13H/b12-5+
InChI Key:
CJKVHPKJDNKHQS-LFYBBSHMSA-N
SMILES:
ON=Cc1c[nH]c2c1ccc(c2)F
Properties
Complexity:
210
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
178.054g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.166g/mol
Monoisotopic Mass:
178.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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