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142045-52-1 | 1H-Pyrrole-2-carbonitrile, 5-bromo-1-(3-fluoro-4-methylphenyl)-
CAS No: 142045-52-1 Catalog No: AG001HMP MDL No:
Product Description
Catalog Number:
AG001HMP
Chemical Name:
1H-Pyrrole-2-carbonitrile, 5-bromo-1-(3-fluoro-4-methylphenyl)-
CAS Number:
142045-52-1
Molecular Formula:
C12H8BrFN2
Molecular Weight:
279.1077
IUPAC Name:
5-bromo-1-(3-fluoro-4-methylphenyl)pyrrole-2-carbonitrile
InChI:
InChI=1S/C12H8BrFN2/c1-8-2-3-9(6-11(8)14)16-10(7-15)4-5-12(16)13/h2-6H,1H3
InChI Key:
AIBLFIRBBNLSAA-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(n1c1ccc(c(c1)F)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:
277.985g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.112g/mol
Monoisotopic Mass:
277.985g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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