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13278-62-1 | Urea, N-[(4-chlorophenyl)methyl]-N'-methyl-
CAS No: 13278-62-1 Catalog No: AG00115U MDL No:
Product Description
Catalog Number:
AG00115U
Chemical Name:
Urea, N-[(4-chlorophenyl)methyl]-N'-methyl-
CAS Number:
13278-62-1
Molecular Formula:
C9H11ClN2O
Molecular Weight:
198.6494
IUPAC Name:
1-[(4-chlorophenyl)methyl]-3-methylurea
InChI:
InChI=1S/C9H11ClN2O/c1-11-9(13)12-6-7-2-4-8(10)5-3-7/h2-5H,6H2,1H3,(H2,11,12,13)
InChI Key:
HVAYRAHLBHKAFM-UHFFFAOYSA-N
SMILES:
CNC(=O)NCc1ccc(cc1)Cl
NSC Number:
75937
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.056g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
198.65g/mol
Monoisotopic Mass:
198.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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