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23214-20-2 | 2-Aziridinecarboxylic acid, 3-[1,1'-biphenyl]-4-yl-1-cyclohexyl-, methyl ester, trans- (9CI)
CAS No: 23214-20-2 Catalog No: AG002MJ7 MDL No:
Product Description
Catalog Number:
AG002MJ7
Chemical Name:
2-Aziridinecarboxylic acid, 3-[1,1'-biphenyl]-4-yl-1-cyclohexyl-, methyl ester, trans- (9CI)
CAS Number:
23214-20-2
Molecular Formula:
C22H25NO2
Molecular Weight:
335.4394
IUPAC Name:
methyl 1-cyclohexyl-3-(4-phenylphenyl)aziridine-2-carboxylate
InChI:
InChI=1S/C22H25NO2/c1-25-22(24)21-20(23(21)19-10-6-3-7-11-19)18-14-12-17(13-15-18)16-8-4-2-5-9-16/h2,4-5,8-9,12-15,19-21H,3,6-7,10-11H2,1H3
InChI Key:
IORCSIWZIMABRA-UHFFFAOYSA-N
SMILES:
COC(=O)[C@@H]1N([C@H]1c1ccc(cc1)c1ccccc1)C1CCCCC1
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.189g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
335.447g/mol
Monoisotopic Mass:
335.189g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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