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13908-31-1 | Urea, N-(2-chloroethyl)-N'-(2,3-dihydro-1H-inden-2-yl)-
CAS No: 13908-31-1 Catalog No: AG001A6A MDL No:
Product Description
Catalog Number:
AG001A6A
Chemical Name:
Urea, N-(2-chloroethyl)-N'-(2,3-dihydro-1H-inden-2-yl)-
CAS Number:
13908-31-1
Molecular Formula:
C12H15ClN2O
Molecular Weight:
238.7133
IUPAC Name:
1-(2-chloroethyl)-3-(2,3-dihydro-1H-inden-2-yl)urea
InChI:
InChI=1S/C12H15ClN2O/c13-5-6-14-12(16)15-11-7-9-3-1-2-4-10(9)8-11/h1-4,11H,5-8H2,(H2,14,15,16)
InChI Key:
QSDXYNVLWIMBDY-UHFFFAOYSA-N
SMILES:
ClCCNC(=O)NC1Cc2c(C1)cccc2
NSC Number:
91740
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.087g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
238.715g/mol
Monoisotopic Mass:
238.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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