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78015-65-3 | Urea,N-[3-chloro-4-(trifluoromethyl)phenyl]-N'-[3-(trifluoromethyl)phenyl]-
CAS No: 78015-65-3 Catalog No: AG005DPD MDL No:
Product Description
Catalog Number:
AG005DPD
Chemical Name:
Urea,N-[3-chloro-4-(trifluoromethyl)phenyl]-N'-[3-(trifluoromethyl)phenyl]-
CAS Number:
78015-65-3
Molecular Formula:
C15H9ClF6N2O
Molecular Weight:
382.6882
IUPAC Name:
1-[3-chloro-4-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
InChI:
InChI=1S/C15H9ClF6N2O/c16-12-7-10(4-5-11(12)15(20,21)22)24-13(25)23-9-3-1-2-8(6-9)14(17,18)19/h1-7H,(H2,23,24,25)
InChI Key:
KQVGGZLNNQMNJX-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(c(c1)Cl)C(F)(F)F)Nc1cccc(c1)C(F)(F)F
EC Number:
278-820-5
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.031g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
382.69g/mol
Monoisotopic Mass:
382.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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