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88452-31-7 | Urea, N-butyl-N'-(3-chloro-4-methoxyphenyl)-N-(phenylmethyl)-
CAS No: 88452-31-7 Catalog No: AG004DZE MDL No:
Product Description
Catalog Number:
AG004DZE
Chemical Name:
Urea, N-butyl-N'-(3-chloro-4-methoxyphenyl)-N-(phenylmethyl)-
CAS Number:
88452-31-7
Molecular Formula:
C19H23ClN2O2
Molecular Weight:
346.8511
IUPAC Name:
1-benzyl-1-butyl-3-(3-chloro-4-methoxyphenyl)urea
InChI:
InChI=1S/C19H23ClN2O2/c1-3-4-12-22(14-15-8-6-5-7-9-15)19(23)21-16-10-11-18(24-2)17(20)13-16/h5-11,13H,3-4,12,14H2,1-2H3,(H,21,23)
InChI Key:
COJMLDQLJWCYDJ-UHFFFAOYSA-N
SMILES:
CCCCN(C(=O)Nc1ccc(c(c1)Cl)OC)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:
4.4
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