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1763-72-0 | Urea, N-[4-bromo-3-(trifluoromethyl)phenyl]-N'-(3-chlorophenyl)-
CAS No: 1763-72-0 Catalog No: AG0024KB MDL No:
Product Description
Catalog Number:
AG0024KB
Chemical Name:
Urea, N-[4-bromo-3-(trifluoromethyl)phenyl]-N'-(3-chlorophenyl)-
CAS Number:
1763-72-0
Molecular Formula:
C14H9BrClF3N2O
Molecular Weight:
393.5863
IUPAC Name:
1-[4-bromo-3-(trifluoromethyl)phenyl]-3-(3-chlorophenyl)urea
InChI:
InChI=1S/C14H9BrClF3N2O/c15-12-5-4-10(7-11(12)14(17,18)19)21-13(22)20-9-3-1-2-8(16)6-9/h1-7H,(H2,20,21,22)
InChI Key:
COFAPIRLSBSVIQ-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1)Cl)Nc1ccc(c(c1)C(F)(F)F)Br
NSC Number:
104501
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
391.954g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
393.588g/mol
Monoisotopic Mass:
391.954g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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