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1006201-17-7 | Urea, N-(3-chlorophenyl)-N'-[1-[(3,4-dichlorophenyl)methyl]-1H-pyrazol-3-yl]-
CAS No: 1006201-17-7 Catalog No: AG0002IJ MDL No:MFCD06080122
Product Description
Catalog Number:
AG0002IJ
Chemical Name:
Urea, N-(3-chlorophenyl)-N'-[1-[(3,4-dichlorophenyl)methyl]-1H-pyrazol-3-yl]-
CAS Number:
1006201-17-7
Molecular Formula:
C17H13Cl3N4O
Molecular Weight:
395.6703
MDL Number:
MFCD06080122
IUPAC Name:
1-(3-chlorophenyl)-3-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]urea
InChI:
InChI=1S/C17H13Cl3N4O/c18-12-2-1-3-13(9-12)21-17(25)22-16-6-7-24(23-16)10-11-4-5-14(19)15(20)8-11/h1-9H,10H2,(H2,21,22,23,25)
InChI Key:
BYQBLCSCHYQEOJ-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccn(n1)Cc1ccc(c(c1)Cl)Cl)Nc1cccc(c1)Cl
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.015g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
395.668g/mol
Monoisotopic Mass:
394.015g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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