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160807-81-8 | Urea, N,N'-bis[(3-fluorophenyl)phenylmethyl]-
CAS No: 160807-81-8 Catalog No: AG001VDC MDL No:
Product Description
Catalog Number:
AG001VDC
Chemical Name:
Urea, N,N'-bis[(3-fluorophenyl)phenylmethyl]-
CAS Number:
160807-81-8
Molecular Formula:
C27H22F2N2O
Molecular Weight:
428.4732
IUPAC Name:
1,3-bis[(3-fluorophenyl)-phenylmethyl]urea
InChI:
InChI=1S/C27H22F2N2O/c28-23-15-7-13-21(17-23)25(19-9-3-1-4-10-19)30-27(32)31-26(20-11-5-2-6-12-20)22-14-8-16-24(29)18-22/h1-18,25-26H,(H2,30,31,32)
InChI Key:
HOFKOZBBHXEODO-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)C(c1ccccc1)NC(=O)NC(c1cccc(c1)F)c1ccccc1
Properties
Complexity:
528
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
428.17g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
428.483g/mol
Monoisotopic Mass:
428.17g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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