Home Halogens (3-chloro-4-fluorophenyl)urea

(3-chloro-4-fluorophenyl)urea

CAS No.:
343247-57-4
Catalog Number:
AG019WG3
Molecular Formula:
C7H6ClFN2O
Molecular Weight:
188.5867
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Product Description
Catalog Number:
AG019WG3
Chemical Name:
(3-chloro-4-fluorophenyl)urea
CAS Number:
343247-57-4
Molecular Formula:
C7H6ClFN2O
Molecular Weight:
188.5867
MDL Number:
MFCD11183381
IUPAC Name:
(3-chloro-4-fluorophenyl)urea
InChI:
InChI=1S/C7H6ClFN2O/c8-5-3-4(11-7(10)12)1-2-6(5)9/h1-3H,(H3,10,11,12)
InChI Key:
PAIOBGQOUSRSNN-UHFFFAOYSA-N
SMILES:
NC(=O)Nc1ccc(c(c1)Cl)F
Properties
Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.015g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
188.586g/mol
Monoisotopic Mass:
188.015g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Multi-component synthesis of dihydropyrimidines by iodine catalyst at ambient temperature and in-vitro antimycobacterial activity. Archiv der Pharmazie 20090801
Properties