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Home > Bromides > 1303993-97-6
1303993-97-6 | 4-(2-Bromo-5-trifluoromethylphenyl)-thiosemicarbazide
CAS No: 1303993-97-6 Catalog No: AG01F889 MDL No:MFCD18379882
Product Description
Catalog Number:
AG01F889
Chemical Name:
4-(2-Bromo-5-trifluoromethylphenyl)-thiosemicarbazide
CAS Number:
1303993-97-6
Molecular Formula:
C8H7BrF3N3S
Molecular Weight:
314.1255
MDL Number:
MFCD18379882
IUPAC Name:
1-amino-3-[2-bromo-5-(trifluoromethyl)phenyl]thiourea
InChI:
InChI=1S/C8H7BrF3N3S/c9-5-2-1-4(8(10,11)12)3-6(5)14-7(16)15-13/h1-3H,13H2,(H2,14,15,16)
InChI Key:
DWIYJBBTKRPZEI-UHFFFAOYSA-N
SMILES:
NNC(=S)Nc1cc(ccc1Br)C(F)(F)F
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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