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73999-10-7 | 1-Benzoyl-3-(2-fluorophenyl)thiourea
CAS No: 73999-10-7 Catalog No: AG01EX8U MDL No:MFCD01469973
Product Description
Catalog Number:
AG01EX8U
Chemical Name:
1-Benzoyl-3-(2-fluorophenyl)thiourea
CAS Number:
73999-10-7
Molecular Formula:
C14H11FN2OS
Molecular Weight:
274.3133
MDL Number:
MFCD01469973
IUPAC Name:
N-[(2-fluorophenyl)carbamothioyl]benzamide
InChI:
InChI=1S/C14H11FN2OS/c15-11-8-4-5-9-12(11)16-14(19)17-13(18)10-6-2-1-3-7-10/h1-9H,(H2,16,17,18,19)
InChI Key:
FJMNYNZDRMVVGH-UHFFFAOYSA-N
SMILES:
S=C(Nc1ccccc1F)NC(=O)c1ccccc1
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.058g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
274.313g/mol
Monoisotopic Mass:
274.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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