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102433-50-1 | Urea, N-(2-chloroethyl)-N'-(5-hydroxy-1-naphthalenyl)-
CAS No: 102433-50-1 Catalog No: AG0007GH MDL No:
Product Description
Catalog Number:
AG0007GH
Chemical Name:
Urea, N-(2-chloroethyl)-N'-(5-hydroxy-1-naphthalenyl)-
CAS Number:
102433-50-1
Molecular Formula:
C13H13ClN2O2
Molecular Weight:
264.7075
IUPAC Name:
1-(2-chloroethyl)-3-(5-hydroxynaphthalen-1-yl)urea
InChI:
InChI=1S/C13H13ClN2O2/c14-7-8-15-13(18)16-11-5-1-4-10-9(11)3-2-6-12(10)17/h1-6,17H,7-8H2,(H2,15,16,18)
InChI Key:
HFCWQUAXJOWOLU-UHFFFAOYSA-N
SMILES:
ClCCNC(=O)Nc1cccc2c1cccc2O
NSC Number:
162272
Properties
Complexity:
288
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.067g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
264.709g/mol
Monoisotopic Mass:
264.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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