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Home > Bromides > 1349708-77-5
1349708-77-5 | 2,4-Dibromo-3-trifluoromethylbenzenethiol
CAS No: 1349708-77-5 Catalog No: AG01FBKI MDL No:MFCD20233365
Product Description
Catalog Number:
AG01FBKI
Chemical Name:
2,4-Dibromo-3-trifluoromethylbenzenethiol
CAS Number:
1349708-77-5
Molecular Formula:
C7H3Br2F3S
Molecular Weight:
335.9669
MDL Number:
MFCD20233365
IUPAC Name:
2,4-dibromo-3-(trifluoromethyl)benzenethiol
InChI:
InChI=1S/C7H3Br2F3S/c8-3-1-2-4(13)6(9)5(3)7(10,11)12/h1-2,13H
InChI Key:
XWBZICHYUROXBW-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1C(F)(F)F)Br)S
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.825g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
335.964g/mol
Monoisotopic Mass:
333.827g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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