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1155877-97-6 | Urea, N-[4-[(3'-chloro-6-methoxy[1,1'-biphenyl]-3-yl)methyl]phenyl]-
CAS No: 1155877-97-6 Catalog No: AG000G7R MDL No:
Product Description
Catalog Number:
AG000G7R
Chemical Name:
Urea, N-[4-[(3'-chloro-6-methoxy[1,1'-biphenyl]-3-yl)methyl]phenyl]-
CAS Number:
1155877-97-6
Molecular Formula:
C21H19ClN2O2
Molecular Weight:
366.8408
IUPAC Name:
[4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]phenyl]urea
InChI:
InChI=1S/C21H19ClN2O2/c1-26-20-10-7-15(12-19(20)16-3-2-4-17(22)13-16)11-14-5-8-18(9-6-14)24-21(23)25/h2-10,12-13H,11H2,1H3,(H3,23,24,25)
InChI Key:
RJJLUTWHJUDZFP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1c1cccc(c1)Cl)Cc1ccc(cc1)NC(=O)N
UNII:
4T436CO8BT
Properties
Complexity:
453
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
366.114g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
366.845g/mol
Monoisotopic Mass:
366.114g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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