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1215205-79-0 | Benzene, 1,3,5-tribromo-2-[(trifluoromethyl)thio]-
CAS No: 1215205-79-0 Catalog No: AG00155G MDL No:MFCD13195742
Product Description
Catalog Number:
AG00155G
Chemical Name:
Benzene, 1,3,5-tribromo-2-[(trifluoromethyl)thio]-
CAS Number:
1215205-79-0
Molecular Formula:
C7H2Br3F3S
Molecular Weight:
414.8630
MDL Number:
MFCD13195742
IUPAC Name:
1,3,5-tribromo-2-(trifluoromethylsulfanyl)benzene
InChI:
InChI=1S/C7H2Br3F3S/c8-3-1-4(9)6(5(10)2-3)14-7(11,12)13/h1-2H
InChI Key:
ZJDHXWULFQHNIW-UHFFFAOYSA-N
SMILES:
Brc1cc(Br)c(c(c1)Br)SC(F)(F)F
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
413.736g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
414.86g/mol
Monoisotopic Mass:
411.738g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7
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