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87388-94-1 | 1H-Pyrrole, 3-acetyl-1-[(dichlorofluoromethyl)thio]-4-(4-methoxyphenyl)-
CAS No: 87388-94-1 Catalog No: AG004GQ5 MDL No:
Product Description
Catalog Number:
AG004GQ5
Chemical Name:
1H-Pyrrole, 3-acetyl-1-[(dichlorofluoromethyl)thio]-4-(4-methoxyphenyl)-
CAS Number:
87388-94-1
Molecular Formula:
C14H12Cl2FNO2S
Molecular Weight:
348.2200
IUPAC Name:
1-[1-[dichloro(fluoro)methyl]sulfanyl-4-(4-methoxyphenyl)pyrrol-3-yl]ethanone
InChI:
InChI=1S/C14H12Cl2FNO2S/c1-9(19)12-7-18(21-14(15,16)17)8-13(12)10-3-5-11(20-2)6-4-10/h3-8H,1-2H3
InChI Key:
XJYVKFPVWBEUMG-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cn(cc1C(=O)C)SC(Cl)(Cl)F
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.995g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
348.213g/mol
Monoisotopic Mass:
346.995g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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