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15145-44-5 | Urea, N-(2-bromoethyl)-N'-(4-methylphenyl)-
CAS No: 15145-44-5 Catalog No: AG001NCV MDL No:
Product Description
Catalog Number:
AG001NCV
Chemical Name:
Urea, N-(2-bromoethyl)-N'-(4-methylphenyl)-
CAS Number:
15145-44-5
Molecular Formula:
C10H13BrN2O
Molecular Weight:
257.1270
IUPAC Name:
1-(2-bromoethyl)-3-(4-methylphenyl)urea
InChI:
InChI=1S/C10H13BrN2O/c1-8-2-4-9(5-3-8)13-10(14)12-7-6-11/h2-5H,6-7H2,1H3,(H2,12,13,14)
InChI Key:
IZTZRUQHAVMCQR-UHFFFAOYSA-N
SMILES:
BrCCNC(=O)Nc1ccc(cc1)C
NSC Number:
104486
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.021g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.131g/mol
Monoisotopic Mass:
256.021g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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