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130511-53-4 | 1H-Pyrrole-3-carbonitrile, 4,5-dibromo-2-(trifluoromethyl)-
CAS No: 130511-53-4 Catalog No: AG000UJW MDL No:
Product Description
Catalog Number:
AG000UJW
Chemical Name:
1H-Pyrrole-3-carbonitrile, 4,5-dibromo-2-(trifluoromethyl)-
CAS Number:
130511-53-4
Molecular Formula:
C6HBr2F3N2
Molecular Weight:
317.8887
IUPAC Name:
4,5-dibromo-2-(trifluoromethyl)-1H-pyrrole-3-carbonitrile
InChI:
InChI=1S/C6HBr2F3N2/c7-3-2(1-12)4(6(9,10)11)13-5(3)8/h13H
InChI Key:
IZSBDNRRHVJVPJ-UHFFFAOYSA-N
SMILES:
N#Cc1c(Br)c([nH]c1C(F)(F)F)Br
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.844g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.891g/mol
Monoisotopic Mass:
315.846g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
39.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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