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13169-71-6 | Methanone, (4-chlorophenyl)-1H-pyrrol-2-yl-
CAS No: 13169-71-6 Catalog No: AG000ZKY MDL No:MFCD00090258
Product Description
Catalog Number:
AG000ZKY
Chemical Name:
Methanone, (4-chlorophenyl)-1H-pyrrol-2-yl-
CAS Number:
13169-71-6
Molecular Formula:
C11H8ClNO
Molecular Weight:
205.6403
MDL Number:
MFCD00090258
IUPAC Name:
(4-chlorophenyl)-(1H-pyrrol-2-yl)methanone
InChI:
InChI=1S/C11H8ClNO/c12-9-5-3-8(4-6-9)11(14)10-2-1-7-13-10/h1-7,13H
InChI Key:
YTVORWPYOKKVAM-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(=O)c1ccc[nH]1
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.029g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.641g/mol
Monoisotopic Mass:
205.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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