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69796-25-4 | Urea,N-(3-methylphenyl)-N'-(2,2,2-trichloro-1-hydroxyethyl)-
CAS No: 69796-25-4 Catalog No: AG005HOL MDL No:
Product Description
Catalog Number:
AG005HOL
Chemical Name:
Urea,N-(3-methylphenyl)-N'-(2,2,2-trichloro-1-hydroxyethyl)-
CAS Number:
69796-25-4
Molecular Formula:
C10H11Cl3N2O2
Molecular Weight:
297.5655
IUPAC Name:
1-(3-methylphenyl)-3-(2,2,2-trichloro-1-hydroxyethyl)urea
InChI:
InChI=1S/C10H11Cl3N2O2/c1-6-3-2-4-7(5-6)14-9(17)15-8(16)10(11,12)13/h2-5,8,16H,1H3,(H2,14,15,17)
InChI Key:
MZPAIJKEIYAOBM-UHFFFAOYSA-N
SMILES:
O=C(NC(C(Cl)(Cl)Cl)O)Nc1cccc(c1)C
NSC Number:
74643
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.989g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
297.56g/mol
Monoisotopic Mass:
295.989g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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