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87388-06-5 | 4-(2,4-Dichlorophenyl)-1H-pyrrole-3-carbonitrile
CAS No: 87388-06-5 Catalog No: AG004NTN MDL No:
Product Description
Catalog Number:
AG004NTN
Chemical Name:
4-(2,4-Dichlorophenyl)-1H-pyrrole-3-carbonitrile
CAS Number:
87388-06-5
Molecular Formula:
C11H6Cl2N2
Molecular Weight:
237.0847
IUPAC Name:
4-(2,4-dichlorophenyl)-1H-pyrrole-3-carbonitrile
InChI:
InChI=1S/C11H6Cl2N2/c12-8-1-2-9(11(13)3-8)10-6-15-5-7(10)4-14/h1-3,5-6,15H
InChI Key:
LQQWFTUQARACNM-UHFFFAOYSA-N
SMILES:
N#Cc1c[nH]cc1c1ccc(cc1Cl)Cl
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.991g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.083g/mol
Monoisotopic Mass:
235.991g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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