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13907-95-4 | Urea, N-[4-(1,1-dimethylethyl)cyclohexyl]-N'-(2-fluoroethyl)-, trans- (9CI)
CAS No: 13907-95-4 Catalog No: AG001A5T MDL No:
Product Description
Catalog Number:
AG001A5T
Chemical Name:
Urea, N-[4-(1,1-dimethylethyl)cyclohexyl]-N'-(2-fluoroethyl)-, trans- (9CI)
CAS Number:
13907-95-4
Molecular Formula:
C13H25FN2O
Molecular Weight:
244.3488
IUPAC Name:
1-(4-tert-butylcyclohexyl)-3-(2-fluoroethyl)urea
InChI:
InChI=1S/C13H25FN2O/c1-13(2,3)10-4-6-11(7-5-10)16-12(17)15-9-8-14/h10-11H,4-9H2,1-3H3,(H2,15,16,17)
InChI Key:
ARYPUWCFSMTBSG-UHFFFAOYSA-N
SMILES:
FCCNC(=O)N[C@@H]1CC[C@H](CC1)C(C)(C)C
NSC Number:
98654
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.195g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
244.354g/mol
Monoisotopic Mass:
244.195g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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