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88452-30-6 | Urea, N-butyl-N'-(3-chloro-2-methoxyphenyl)-N-(phenylmethyl)-
CAS No: 88452-30-6 Catalog No: AG004DZF MDL No:
Product Description
Catalog Number:
AG004DZF
Chemical Name:
Urea, N-butyl-N'-(3-chloro-2-methoxyphenyl)-N-(phenylmethyl)-
CAS Number:
88452-30-6
Molecular Formula:
C19H23ClN2O2
Molecular Weight:
346.8511
IUPAC Name:
1-benzyl-1-butyl-3-(3-chloro-2-methoxyphenyl)urea
InChI:
InChI=1S/C19H23ClN2O2/c1-3-4-13-22(14-15-9-6-5-7-10-15)19(23)21-17-12-8-11-16(20)18(17)24-2/h5-12H,3-4,13-14H2,1-2H3,(H,21,23)
InChI Key:
RKVHAWULYXIBGC-UHFFFAOYSA-N
SMILES:
CCCCN(C(=O)Nc1cccc(c1OC)Cl)Cc1ccccc1
Properties
Complexity:
374
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.145g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
346.855g/mol
Monoisotopic Mass:
346.145g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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