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1263376-44-8 | 4-(3,5-Dichloro-4-fluorophenyl)thiosemicarbazide
CAS No: 1263376-44-8 Catalog No: AG01F9HA MDL No:MFCD18379835
Product Description
Catalog Number:
AG01F9HA
Chemical Name:
4-(3,5-Dichloro-4-fluorophenyl)thiosemicarbazide
CAS Number:
1263376-44-8
Molecular Formula:
C7H6Cl2FN3S
Molecular Weight:
254.1120
MDL Number:
MFCD18379835
IUPAC Name:
1-amino-3-(3,5-dichloro-4-fluorophenyl)thiourea
InChI:
InChI=1S/C7H6Cl2FN3S/c8-4-1-3(12-7(14)13-11)2-5(9)6(4)10/h1-2H,11H2,(H2,12,13,14)
InChI Key:
QOZYESXHIHONTM-UHFFFAOYSA-N
SMILES:
NNC(=S)Nc1cc(Cl)c(c(c1)Cl)F
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.964g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
254.104g/mol
Monoisotopic Mass:
252.964g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
82.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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