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19123-21-8 | Urea, N-[(1R,2R)-2-methylcyclohexyl]-N'-phenyl-, rel-
CAS No: 19123-21-8 Catalog No: AG002F56 MDL No:
Product Description
Catalog Number:
AG002F56
Chemical Name:
Urea, N-[(1R,2R)-2-methylcyclohexyl]-N'-phenyl-, rel-
CAS Number:
19123-21-8
Molecular Formula:
C14H20N2O
Molecular Weight:
232.3214
IUPAC Name:
1-[(1R,2R)-2-methylcyclohexyl]-3-phenylurea
InChI:
InChI=1S/C14H20N2O/c1-11-7-5-6-10-13(11)16-14(17)15-12-8-3-2-4-9-12/h2-4,8-9,11,13H,5-7,10H2,1H3,(H2,15,16,17)/t11-,13-/m1/s1
InChI Key:
JXVIIQLNUPXOII-DGCLKSJQSA-N
SMILES:
O=C(Nc1ccccc1)N[C@@H]1CCCC[C@H]1C
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
232.158g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.327g/mol
Monoisotopic Mass:
232.158g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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