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Home Other Building Blocks N,N′-BIS-(3,4-DICHLOROPHENYL)UREA

N,N′-BIS-(3,4-DICHLOROPHENYL)UREA

CAS No.:
4300-43-0
Catalog Number:
AG00CIP6
Molecular Formula:
C13H8Cl4N2O
Molecular Weight:
350.0274
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Product Description
Catalog Number:
AG00CIP6
Chemical Name:
N,N′-BIS-(3,4-DICHLOROPHENYL)UREA
CAS Number:
4300-43-0
Molecular Formula:
C13H8Cl4N2O
Molecular Weight:
350.0274
MDL Number:
MFCD00171464
IUPAC Name:
1,3-bis(3,4-dichlorophenyl)urea
InChI:
InChI=1S/C13H8Cl4N2O/c14-9-3-1-7(5-11(9)16)18-13(20)19-8-2-4-10(15)12(17)6-8/h1-6H,(H2,18,19,20)
InChI Key:
ZDPIZPXVHVYTOK-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(c(c1)Cl)Cl)Nc1ccc(c(c1)Cl)Cl
UNII:
W5A83C0L6P
Properties
Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.936g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
350.02g/mol
Monoisotopic Mass:
347.939g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6  
Literature
Title Journal
Simultaneous determination of triclosan, triclocarban, and transformation products of triclocarban in aqueous samples using solid-phase micro-extraction-HPLC-MS/MS. Journal of separation science 20121001
Screening a library of 1600 adamantyl ureas for anti-Mycobacterium tuberculosis activity in vitro and for better physical chemical properties for bioavailability. Bioorganic & medicinal chemistry 20120515
In vitro inhibition of translation initiation by N,N'-diarylureas--potential anti-cancer agents. Bioorganic & medicinal chemistry letters 20120101
Detection of triclocarban and two co-contaminating chlorocarbanilides in US aquatic environments using isotope dilution liquid chromatography tandem mass spectrometry. Environmental research 20070101
QSAR and classification of murine and human soluble epoxide hydrolase inhibition by urea-like compounds. Journal of medicinal chemistry 20030313
Properties