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Home > Bromides > 1303993-94-3
1303993-94-3 | 4-(2-Bromo-4-trifluoromethoxyphenyl)-thiosemicarbazide
CAS No: 1303993-94-3 Catalog No: AG01F7YA MDL No:MFCD18379889
Product Description
Catalog Number:
AG01F7YA
Chemical Name:
4-(2-Bromo-4-trifluoromethoxyphenyl)-thiosemicarbazide
CAS Number:
1303993-94-3
Molecular Formula:
C8H7BrF3N3OS
Molecular Weight:
330.1249
MDL Number:
MFCD18379889
IUPAC Name:
1-amino-3-[2-bromo-4-(trifluoromethoxy)phenyl]thiourea
InChI:
InChI=1S/C8H7BrF3N3OS/c9-5-3-4(16-8(10,11)12)1-2-6(5)14-7(17)15-13/h1-3H,13H2,(H2,14,15,17)
InChI Key:
WYDHLEKSKCHQFU-UHFFFAOYSA-N
SMILES:
NNC(=S)Nc1ccc(cc1Br)OC(F)(F)F
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.945g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
330.123g/mol
Monoisotopic Mass:
328.945g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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