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Home > Fluorides > 1237759-54-4
1237759-54-4 | 4-Fluoro-3-methoxyphenylthiourea
CAS No: 1237759-54-4 Catalog No: AG01FEM1 MDL No:MFCD18379875
Product Description
Catalog Number:
AG01FEM1
Chemical Name:
4-Fluoro-3-methoxyphenylthiourea
CAS Number:
1237759-54-4
Molecular Formula:
C8H9FN2OS
Molecular Weight:
200.2333
MDL Number:
MFCD18379875
IUPAC Name:
(4-fluoro-3-methoxyphenyl)thiourea
InChI:
InChI=1S/C8H9FN2OS/c1-12-7-4-5(11-8(10)13)2-3-6(7)9/h2-4H,1H3,(H3,10,11,13)
InChI Key:
PIMOEZUKRNIFNV-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1F)NC(=S)N
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.042g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
200.231g/mol
Monoisotopic Mass:
200.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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