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3-chloro-4-fluorophenylthiourea

3-chloro-4-fluorophenylthiourea

CAS: 154371-25-2

Formula: C7H6ClFN2S

SMILES: NC(=S)NC1=CC(Cl)=C(F)C=C1

IUPAC: (3-chloro-4-fluorophenyl)thiourea

InChI: InChI=1S/C7H6ClFN2S/c8-5-3-4(11-7(10)12)1-2-6(5)9/h1-3H,(H3,10,11,12)

Composition: C (41.08%), H (2.96%), Cl (17.32%), F (9.28%), N (13.69%), S (15.67%)

Molar Mass: 204.65

Atom Count: 18

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 203.9924252
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 2
InChIKey OVJVZVPEMXLKOE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.61
Topological Polar Surface Area 38.05
Polarizability 19.47
Ring Count 1
Rotatable Bond Count 1

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