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Home > Bromides > 1303993-77-2
1303993-77-2 | 4-(4-Bromo-3-trifluoromethylphenyl)-thiosemicarbazide
CAS No: 1303993-77-2 Catalog No: AG01F886 MDL No:MFCD18379887
Product Description
Catalog Number:
AG01F886
Chemical Name:
4-(4-Bromo-3-trifluoromethylphenyl)-thiosemicarbazide
CAS Number:
1303993-77-2
Molecular Formula:
C8H7BrF3N3S
Molecular Weight:
314.1255
MDL Number:
MFCD18379887
IUPAC Name:
1-amino-3-[4-bromo-3-(trifluoromethyl)phenyl]thiourea
InChI:
InChI=1S/C8H7BrF3N3S/c9-6-2-1-4(14-7(16)15-13)3-5(6)8(10,11)12/h1-3H,13H2,(H2,14,15,16)
InChI Key:
BAPGMPROSSEMBY-UHFFFAOYSA-N
SMILES:
NNC(=S)Nc1ccc(c(c1)C(F)(F)F)Br
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.95g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
314.124g/mol
Monoisotopic Mass:
312.95g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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