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117298-91-6 | Urea, N-(2-chloroethyl)-N'-(4-methyl-3-pyridinyl)-
CAS No: 117298-91-6 Catalog No: AG000E2Y MDL No:
Product Description
Catalog Number:
AG000E2Y
Chemical Name:
Urea, N-(2-chloroethyl)-N'-(4-methyl-3-pyridinyl)-
CAS Number:
117298-91-6
Molecular Formula:
C9H12ClN3O
Molecular Weight:
213.6641
IUPAC Name:
1-(2-chloroethyl)-3-(4-methylpyridin-3-yl)urea
InChI:
InChI=1S/C9H12ClN3O/c1-7-2-4-11-6-8(7)13-9(14)12-5-3-10/h2,4,6H,3,5H2,1H3,(H2,12,13,14)
InChI Key:
YYRSVEZMTFUMBT-UHFFFAOYSA-N
SMILES:
Cc1ccncc1NC(=O)NCCCl
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.067g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
213.665g/mol
Monoisotopic Mass:
213.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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