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102433-45-4 | Urea, N-(2-chloroethyl)-N'-(5,6,7,8-tetrahydro-2,3-dimethyl-1-naphthalenyl)-
CAS No: 102433-45-4 Catalog No: AG0007GL MDL No:
Product Description
Catalog Number:
AG0007GL
Chemical Name:
Urea, N-(2-chloroethyl)-N'-(5,6,7,8-tetrahydro-2,3-dimethyl-1-naphthalenyl)-
CAS Number:
102433-45-4
Molecular Formula:
C15H21ClN2O
Molecular Weight:
280.7930
IUPAC Name:
1-(2-chloroethyl)-3-(2,3-dimethyl-5,6,7,8-tetrahydronaphthalen-1-yl)urea
InChI:
InChI=1S/C15H21ClN2O/c1-10-9-12-5-3-4-6-13(12)14(11(10)2)18-15(19)17-8-7-16/h9H,3-8H2,1-2H3,(H2,17,18,19)
InChI Key:
ZCDDHYSPLQHDKA-UHFFFAOYSA-N
SMILES:
ClCCNC(=O)Nc1c(C)c(C)cc2c1CCCC2
NSC Number:
162245
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.134g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
280.796g/mol
Monoisotopic Mass:
280.134g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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