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23214-22-4 | 2-Aziridinecarboxylic acid, 3-[1,1'-biphenyl]-4-yl-1-(1-methylethyl)-, methyl ester, trans- (9CI)
CAS No: 23214-22-4 Catalog No: AG002MJ6 MDL No:
Product Description
Catalog Number:
AG002MJ6
Chemical Name:
2-Aziridinecarboxylic acid, 3-[1,1'-biphenyl]-4-yl-1-(1-methylethyl)-, methyl ester, trans- (9CI)
CAS Number:
23214-22-4
Molecular Formula:
C19H21NO2
Molecular Weight:
295.3755
IUPAC Name:
methyl 3-(4-phenylphenyl)-1-propan-2-ylaziridine-2-carboxylate
InChI:
InChI=1S/C19H21NO2/c1-13(2)20-17(18(20)19(21)22-3)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-13,17-18H,1-3H3
InChI Key:
SXYDLIZRUGYYCB-UHFFFAOYSA-N
SMILES:
COC(=O)[C@@H]1N([C@H]1c1ccc(cc1)c1ccccc1)C(C)C
NSC Number:
150304
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.157g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.382g/mol
Monoisotopic Mass:
295.157g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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