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87919-32-2 | 1-(3-chloro-4-methylphenyl)-3-(1-hydroxybutan-2-yl)urea
CAS No: 87919-32-2 Catalog No: AG004DR1 MDL No:
Product Description
Catalog Number:
AG004DR1
Chemical Name:
1-(3-chloro-4-methylphenyl)-3-(1-hydroxybutan-2-yl)urea
CAS Number:
87919-32-2
Molecular Formula:
C12H17ClN2O2
Molecular Weight:
256.7286
IUPAC Name:
1-(3-chloro-4-methylphenyl)-3-(1-hydroxybutan-2-yl)urea
InChI:
InChI=1S/C12H17ClN2O2/c1-3-9(7-16)14-12(17)15-10-5-4-8(2)11(13)6-10/h4-6,9,16H,3,7H2,1-2H3,(H2,14,15,17)
InChI Key:
BDGHWHXNVAXQLC-UHFFFAOYSA-N
SMILES:
CCC(NC(=O)Nc1ccc(c(c1)Cl)C)CO
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.098g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
256.73g/mol
Monoisotopic Mass:
256.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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