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141493-62-1 | Cyclohepta[b]pyrrol-2(1H)-one, 1-(4-chlorophenyl)-
CAS No: 141493-62-1 Catalog No: AG001GHL MDL No:
Product Description
Catalog Number:
AG001GHL
Chemical Name:
Cyclohepta[b]pyrrol-2(1H)-one, 1-(4-chlorophenyl)-
CAS Number:
141493-62-1
Molecular Formula:
C15H10ClNO
Molecular Weight:
255.6990
IUPAC Name:
1-(4-chlorophenyl)cyclohepta[b]pyrrol-2-one
InChI:
InChI=1S/C15H10ClNO/c16-12-6-8-13(9-7-12)17-14-5-3-1-2-4-11(14)10-15(17)18/h1-10H
InChI Key:
JTPDGBJAEGWSCD-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)n1c(=O)cc2c1ccccc2
Properties
Complexity:
479
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.045g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.701g/mol
Monoisotopic Mass:
255.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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