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20680-07-3 | Urea, N-(4-bromophenyl)-N'-methyl-
CAS No: 20680-07-3 Catalog No: AG002IOS MDL No:
Product Description
Catalog Number:
AG002IOS
Chemical Name:
Urea, N-(4-bromophenyl)-N'-methyl-
CAS Number:
20680-07-3
Molecular Formula:
C8H9BrN2O
Molecular Weight:
229.0739
IUPAC Name:
1-(4-bromophenyl)-3-methylurea
InChI:
InChI=1S/C8H9BrN2O/c1-10-8(12)11-7-4-2-6(9)3-5-7/h2-5H,1H3,(H2,10,11,12)
InChI Key:
OKUKWIIEAXKUDI-UHFFFAOYSA-N
SMILES:
CNC(=O)Nc1ccc(cc1)Br
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.99g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.077g/mol
Monoisotopic Mass:
227.99g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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