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Home > Bromides > 1153254-46-6
1153254-46-6 | 4-(5-Bromo-2-fluorophenyl)thiosemicarbazide
CAS No: 1153254-46-6 Catalog No: AG01FATV MDL No:MFCD12137184
Product Description
Catalog Number:
AG01FATV
Chemical Name:
4-(5-Bromo-2-fluorophenyl)thiosemicarbazide
CAS Number:
1153254-46-6
Molecular Formula:
C7H7BrFN3S
Molecular Weight:
264.1180
MDL Number:
MFCD12137184
IUPAC Name:
1-amino-3-(5-bromo-2-fluorophenyl)thiourea
InChI:
InChI=1S/C7H7BrFN3S/c8-4-1-2-5(9)6(3-4)11-7(13)12-10/h1-3H,10H2,(H2,11,12,13)
InChI Key:
HALQACSMVIQBKZ-UHFFFAOYSA-N
SMILES:
NNC(=S)Nc1cc(Br)ccc1F
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.953g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
264.116g/mol
Monoisotopic Mass:
262.953g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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