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161194-44-1 | Urea, N-(2-chloroethyl)-N'-[4-(4-hydroxybutyl)phenyl]-
CAS No: 161194-44-1 Catalog No: AG001S8T MDL No:
Product Description
Catalog Number:
AG001S8T
Chemical Name:
Urea, N-(2-chloroethyl)-N'-[4-(4-hydroxybutyl)phenyl]-
CAS Number:
161194-44-1
Molecular Formula:
C13H19ClN2O2
Molecular Weight:
270.7552
IUPAC Name:
1-(2-chloroethyl)-3-[4-(4-hydroxybutyl)phenyl]urea
InChI:
InChI=1S/C13H19ClN2O2/c14-8-9-15-13(18)16-12-6-4-11(5-7-12)3-1-2-10-17/h4-7,17H,1-3,8-10H2,(H2,15,16,18)
InChI Key:
WZGQIHSPCUXDHQ-UHFFFAOYSA-N
SMILES:
OCCCCc1ccc(cc1)NC(=O)NCCCl
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.114g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
270.757g/mol
Monoisotopic Mass:
270.114g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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