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75875-83-1 | Ethanone, 1-(4-chlorophenyl)-2-(1-methyl-2-pyrrolidinylidene)-, (E)-
CAS No: 75875-83-1 Catalog No: AG005HDD MDL No:
Product Description
Catalog Number:
AG005HDD
Chemical Name:
Ethanone, 1-(4-chlorophenyl)-2-(1-methyl-2-pyrrolidinylidene)-, (E)-
CAS Number:
75875-83-1
Molecular Formula:
C13H14ClNO
Molecular Weight:
235.7094
IUPAC Name:
1-(4-chlorophenyl)-2-(1-methylpyrrolidin-2-ylidene)ethanone
InChI:
InChI=1S/C13H14ClNO/c1-15-8-2-3-12(15)9-13(16)10-4-6-11(14)7-5-10/h4-7,9H,2-3,8H2,1H3
InChI Key:
HBAWWAIRGICCEX-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(=O)/C=C/1\CCCN1C
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.076g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.711g/mol
Monoisotopic Mass:
235.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3
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