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141454-22-0 | 1H-Pyrrole-3-carbonitrile, 4-bromo-2-chloro-5-(4-chlorophenyl)-
CAS No: 141454-22-0 Catalog No: AG001GFK MDL No:
Product Description
Catalog Number:
AG001GFK
Chemical Name:
1H-Pyrrole-3-carbonitrile, 4-bromo-2-chloro-5-(4-chlorophenyl)-
CAS Number:
141454-22-0
Molecular Formula:
C11H5BrCl2N2
Molecular Weight:
315.9808
IUPAC Name:
4-bromo-2-chloro-5-(4-chlorophenyl)-1H-pyrrole-3-carbonitrile
InChI:
InChI=1S/C11H5BrCl2N2/c12-9-8(5-15)11(14)16-10(9)6-1-3-7(13)4-2-6/h1-4,16H
InChI Key:
UXCVWSJFPVQRAI-UHFFFAOYSA-N
SMILES:
N#Cc1c(Cl)[nH]c(c1Br)c1ccc(cc1)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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