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Home > Bromides > 1153253-02-1
1153253-02-1 | 5-Bromo-2-fluorophenylthiourea
CAS No: 1153253-02-1 Catalog No: AG01FEZJ MDL No:MFCD12137160
Product Description
Catalog Number:
AG01FEZJ
Chemical Name:
5-Bromo-2-fluorophenylthiourea
CAS Number:
1153253-02-1
Molecular Formula:
C7H6BrFN2S
Molecular Weight:
249.1033
MDL Number:
MFCD12137160
IUPAC Name:
(5-bromo-2-fluorophenyl)thiourea
InChI:
InChI=1S/C7H6BrFN2S/c8-4-1-2-5(9)6(3-4)11-7(10)12/h1-3H,(H3,10,11,12)
InChI Key:
LAVWCSMXHMZJIQ-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1cc(Br)ccc1F
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.942g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
249.101g/mol
Monoisotopic Mass:
247.942g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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