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592546-67-3 | N-(3-Chloro-phenyl)-2-(3-formyl-indol-1-yl)-acetamide
CAS No: 592546-67-3 Catalog No: AG01F8CG MDL No:
Product Description
Catalog Number:
AG01F8CG
Chemical Name:
N-(3-Chloro-phenyl)-2-(3-formyl-indol-1-yl)-acetamide
CAS Number:
592546-67-3
Molecular Formula:
C17H13ClN2O2
Molecular Weight:
312.7503
IUPAC Name:
N-(3-chlorophenyl)-2-(3-formylindol-1-yl)acetamide
InChI:
InChI=1S/C17H13ClN2O2/c18-13-4-3-5-14(8-13)19-17(22)10-20-9-12(11-21)15-6-1-2-7-16(15)20/h1-9,11H,10H2,(H,19,22)
InChI Key:
JWMUJRXFSSKXPA-UHFFFAOYSA-N
SMILES:
O=Cc1cn(c2c1cccc2)CC(=O)Nc1cccc(c1)Cl
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.067g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.753g/mol
Monoisotopic Mass:
312.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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