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90942-22-6

90942-22-6 | 1-bromo-3-[(trichloromethyl)sulfanyl]benzene

CAS No: 90942-22-6 Catalog No: AG006GD7 MDL No:

Product Description

Catalog Number:
AG006GD7
Chemical Name:
1-bromo-3-[(trichloromethyl)sulfanyl]benzene
CAS Number:
90942-22-6
Molecular Formula:
C7H4BrCl3S
Molecular Weight:
306.4347
IUPAC Name:
1-bromo-3-(trichloromethylsulfanyl)benzene
InChI:
InChI=1S/C7H4BrCl3S/c8-5-2-1-3-6(4-5)12-7(9,10)11/h1-4H
InChI Key:
AWTLLUKOZXIHNR-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)SC(Cl)(Cl)Cl
NSC Number:
65971

Properties

Complexity:
148  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.828g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
306.423g/mol
Monoisotopic Mass:
303.828g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1  

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