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122453-43-4 | 1H-Pyrrole-3-carbonitrile, 4-bromo-5-chloro-2-(4-chlorophenyl)-
CAS No: 122453-43-4 Catalog No: AG00178I MDL No:
Product Description
Catalog Number:
AG00178I
Chemical Name:
1H-Pyrrole-3-carbonitrile, 4-bromo-5-chloro-2-(4-chlorophenyl)-
CAS Number:
122453-43-4
Molecular Formula:
C11H5BrCl2N2
Molecular Weight:
315.9808
IUPAC Name:
4-bromo-5-chloro-2-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile
InChI:
InChI=1S/C11H5BrCl2N2/c12-9-8(5-15)10(16-11(9)14)6-1-3-7(13)4-2-6/h1-4,16H
InChI Key:
CHLULTMNDNSTHE-UHFFFAOYSA-N
SMILES:
N#Cc1c(Br)c([nH]c1c1ccc(cc1)Cl)Cl
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.901g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
315.979g/mol
Monoisotopic Mass:
313.901g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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