200,000+ products from a single source!
sales@angenechem.com
87389-24-0 | 1H-Pyrrole-3-carbonitrile, 4-(2-bromophenyl)-1-[(trichloromethyl)thio]-
CAS No: 87389-24-0 Catalog No: AG004JW8 MDL No:
Product Description
Catalog Number:
AG004JW8
Chemical Name:
1H-Pyrrole-3-carbonitrile, 4-(2-bromophenyl)-1-[(trichloromethyl)thio]-
CAS Number:
87389-24-0
Molecular Formula:
C12H6BrCl3N2S
Molecular Weight:
396.5174
IUPAC Name:
4-(2-bromophenyl)-1-(trichloromethylsulfanyl)pyrrole-3-carbonitrile
InChI:
InChI=1S/C12H6BrCl3N2S/c13-11-4-2-1-3-9(11)10-7-18(6-8(10)5-17)19-12(14,15)16/h1-4,6-7H
InChI Key:
XCVZOQRJDGRSKF-UHFFFAOYSA-N
SMILES:
N#Cc1cn(cc1c1ccccc1Br)SC(Cl)(Cl)Cl
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.85g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
396.508g/mol
Monoisotopic Mass:
393.85g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.