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116681-70-0 | Urea, N-(2-chloro-4-pyridinyl)-N'-(1-methylethyl)-
CAS No: 116681-70-0 Catalog No: AG000D00 MDL No:
Product Description
Catalog Number:
AG000D00
Chemical Name:
Urea, N-(2-chloro-4-pyridinyl)-N'-(1-methylethyl)-
CAS Number:
116681-70-0
Molecular Formula:
C9H12ClN3O
Molecular Weight:
213.6641
IUPAC Name:
1-(2-chloropyridin-4-yl)-3-propan-2-ylurea
InChI:
InChI=1S/C9H12ClN3O/c1-6(2)12-9(14)13-7-3-4-11-8(10)5-7/h3-6H,1-2H3,(H2,11,12,13,14)
InChI Key:
IKOOJCAAVHUJIV-UHFFFAOYSA-N
SMILES:
CC(NC(=O)Nc1ccnc(c1)Cl)C
Properties
Complexity:
199
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:
2
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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