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Home > Fluorides > 1263376-22-2
1263376-22-2 | 4-(3-Difluoromethoxyphenyl)thiosemicarbazide
CAS No: 1263376-22-2 Catalog No: AG01FALR MDL No:MFCD18379838
Product Description
Catalog Number:
AG01FALR
Chemical Name:
4-(3-Difluoromethoxyphenyl)thiosemicarbazide
CAS Number:
1263376-22-2
Molecular Formula:
C8H9F2N3OS
Molecular Weight:
233.2384
MDL Number:
MFCD18379838
IUPAC Name:
1-amino-3-[3-(difluoromethoxy)phenyl]thiourea
InChI:
InChI=1S/C8H9F2N3OS/c9-7(10)14-6-3-1-2-5(4-6)12-8(15)13-11/h1-4,7H,11H2,(H2,12,13,15)
InChI Key:
BIDQCQRPBNENEO-UHFFFAOYSA-N
SMILES:
NNC(=S)Nc1cccc(c1)OC(F)F
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.043g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
233.237g/mol
Monoisotopic Mass:
233.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
91.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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