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872706-13-3 | 1H-Pyrrole-3-carbonitrile, 2-(4-chlorophenyl)-5-[(methoxyimino)methyl]-
CAS No: 872706-13-3 Catalog No: AG004I9I MDL No:
Product Description
Catalog Number:
AG004I9I
Chemical Name:
1H-Pyrrole-3-carbonitrile, 2-(4-chlorophenyl)-5-[(methoxyimino)methyl]-
CAS Number:
872706-13-3
Molecular Formula:
C13H10ClN3O
Molecular Weight:
259.6910
IUPAC Name:
2-(4-chlorophenyl)-5-(methoxyiminomethyl)-1H-pyrrole-3-carbonitrile
InChI:
InChI=1S/C13H10ClN3O/c1-18-16-8-12-6-10(7-15)13(17-12)9-2-4-11(14)5-3-9/h2-6,8,17H,1H3
InChI Key:
DWPLALQCUYWQQC-UHFFFAOYSA-N
SMILES:
CON=Cc1cc(c([nH]1)c1ccc(cc1)Cl)C#N
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.051g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.693g/mol
Monoisotopic Mass:
259.051g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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