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142044-97-1 | 1H-Pyrrole-2-carbonitrile, 5-bromo-1-(4-methylphenyl)-
CAS No: 142044-97-1 Catalog No: AG001HMR MDL No:
Product Description
Catalog Number:
AG001HMR
Chemical Name:
1H-Pyrrole-2-carbonitrile, 5-bromo-1-(4-methylphenyl)-
CAS Number:
142044-97-1
Molecular Formula:
C12H9BrN2
Molecular Weight:
261.1173
IUPAC Name:
5-bromo-1-(4-methylphenyl)pyrrole-2-carbonitrile
InChI:
InChI=1S/C12H9BrN2/c1-9-2-4-10(5-3-9)15-11(8-14)6-7-12(15)13/h2-7H,1H3
InChI Key:
WKZJKRTWAWJZPG-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(n1c1ccc(cc1)C)Br
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.995g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.122g/mol
Monoisotopic Mass:
259.995g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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