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13208-44-1 | Urea, N-(3-chlorophenyl)-N'-(4-fluorophenyl)-
CAS No: 13208-44-1 Catalog No: AG00106G MDL No:
Product Description
Catalog Number:
AG00106G
Chemical Name:
Urea, N-(3-chlorophenyl)-N'-(4-fluorophenyl)-
CAS Number:
13208-44-1
Molecular Formula:
C13H10ClFN2O
Molecular Weight:
264.6827
IUPAC Name:
1-(3-chlorophenyl)-3-(4-fluorophenyl)urea
InChI:
InChI=1S/C13H10ClFN2O/c14-9-2-1-3-12(8-9)17-13(18)16-11-6-4-10(15)5-7-11/h1-8H,(H2,16,17,18)
InChI Key:
OWBKKZTVBUYNJT-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1)Cl)Nc1ccc(cc1)F
NSC Number:
104504
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.047g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
264.684g/mol
Monoisotopic Mass:
264.047g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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