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142045-00-9 | 1H-Pyrrole-2-carbonitrile, 5-bromo-1-(2-chloro-4-methylphenyl)-
CAS No: 142045-00-9 Catalog No: AG001HMQ MDL No:
Product Description
Catalog Number:
AG001HMQ
Chemical Name:
1H-Pyrrole-2-carbonitrile, 5-bromo-1-(2-chloro-4-methylphenyl)-
CAS Number:
142045-00-9
Molecular Formula:
C12H8BrClN2
Molecular Weight:
295.5623
IUPAC Name:
5-bromo-1-(2-chloro-4-methylphenyl)pyrrole-2-carbonitrile
InChI:
InChI=1S/C12H8BrClN2/c1-8-2-4-11(10(14)6-8)16-9(7-15)3-5-12(16)13/h2-6H,1H3
InChI Key:
HKRJZVZWRWZWCJ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(n1c1ccc(cc1Cl)C)Br
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.956g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.564g/mol
Monoisotopic Mass:
293.956g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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