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304685-85-6 | Ethanone, 2-chloro-1-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-
CAS No: 304685-85-6 Catalog No: AG00307W MDL No:MFCD01910939
Product Description
Catalog Number:
AG00307W
Chemical Name:
Ethanone, 2-chloro-1-(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)-
CAS Number:
304685-85-6
Molecular Formula:
C14H14ClNO
Molecular Weight:
247.7201
MDL Number:
MFCD01910939
IUPAC Name:
2-chloro-1-(2,5-dimethyl-1-phenylpyrrol-3-yl)ethanone
InChI:
InChI=1S/C14H14ClNO/c1-10-8-13(14(17)9-15)11(2)16(10)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3
InChI Key:
QSYYGYUKZQOGRQ-UHFFFAOYSA-N
SMILES:
ClCC(=O)c1cc(n(c1C)c1ccccc1)C
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.076g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.722g/mol
Monoisotopic Mass:
247.076g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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