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79112-09-7 | 1H-Indole-2-carbonyl chloride, 5-fluoro-
CAS No: 79112-09-7 Catalog No: AG005BNC MDL No:
Product Description
Catalog Number:
AG005BNC
Chemical Name:
1H-Indole-2-carbonyl chloride, 5-fluoro-
CAS Number:
79112-09-7
Molecular Formula:
C9H5ClFNO
Molecular Weight:
197.5935
IUPAC Name:
5-fluoro-1H-indole-2-carbonyl chloride
InChI:
InChI=1S/C9H5ClFNO/c10-9(13)8-4-5-3-6(11)1-2-7(5)12-8/h1-4,12H
InChI Key:
UMLGAJBWICWJOR-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)cc([nH]2)C(=O)Cl
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.004g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.593g/mol
Monoisotopic Mass:
197.004g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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