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102613-27-4 | Urea, N-(2-chloroethyl)-N'-(1,2-dihydro-5-acenaphthylenyl)-
CAS No: 102613-27-4 Catalog No: AG0007WY MDL No:
Product Description
Catalog Number:
AG0007WY
Chemical Name:
Urea, N-(2-chloroethyl)-N'-(1,2-dihydro-5-acenaphthylenyl)-
CAS Number:
102613-27-4
Molecular Formula:
C15H15ClN2O
Molecular Weight:
274.7454
IUPAC Name:
1-(2-chloroethyl)-3-(1,2-dihydroacenaphthylen-5-yl)urea
InChI:
InChI=1S/C15H15ClN2O/c16-8-9-17-15(19)18-13-7-6-11-5-4-10-2-1-3-12(13)14(10)11/h1-3,6-7H,4-5,8-9H2,(H2,17,18,19)
InChI Key:
PRSFQUNLUKUNEF-UHFFFAOYSA-N
SMILES:
ClCCNC(=O)Nc1ccc2c3c1cccc3CC2
NSC Number:
120330
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.087g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
274.748g/mol
Monoisotopic Mass:
274.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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