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1240673-20-4 | 4-Bromo-3-trifluoromethylphenylthiourea
CAS No: 1240673-20-4 Catalog No: AG01FC8U MDL No:MFCD15525445
Product Description
Catalog Number:
AG01FC8U
Chemical Name:
4-Bromo-3-trifluoromethylphenylthiourea
CAS Number:
1240673-20-4
Molecular Formula:
C8H6BrF3N2S
Molecular Weight:
299.1108
MDL Number:
MFCD15525445
IUPAC Name:
[4-bromo-3-(trifluoromethyl)phenyl]thiourea
InChI:
InChI=1S/C8H6BrF3N2S/c9-6-2-1-4(14-7(13)15)3-5(6)8(10,11)12/h1-3H,(H3,13,14,15)
InChI Key:
QOZRMDHHPQZZHI-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1ccc(c(c1)C(F)(F)F)Br
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.939g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
299.109g/mol
Monoisotopic Mass:
297.939g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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