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23417-39-2 | Urea, N-(2-bromoethyl)-N'-(3,4-dimethylphenyl)-
CAS No: 23417-39-2 Catalog No: AG002N5Y MDL No:
Product Description
Catalog Number:
AG002N5Y
Chemical Name:
Urea, N-(2-bromoethyl)-N'-(3,4-dimethylphenyl)-
CAS Number:
23417-39-2
Molecular Formula:
C11H15BrN2O
Molecular Weight:
271.1536
IUPAC Name:
1-(2-bromoethyl)-3-(3,4-dimethylphenyl)urea
InChI:
InChI=1S/C11H15BrN2O/c1-8-3-4-10(7-9(8)2)14-11(15)13-6-5-12/h3-4,7H,5-6H2,1-2H3,(H2,13,14,15)
InChI Key:
QDACXZIAKSCSEG-UHFFFAOYSA-N
SMILES:
BrCCNC(=O)Nc1ccc(c(c1)C)C
NSC Number:
160066
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.037g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
271.158g/mol
Monoisotopic Mass:
270.037g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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