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88961-03-9 | Benzoic acid, 4-[3-(2-phenyl-1-aziridinyl)propyl]-, methyl ester
CAS No: 88961-03-9 Catalog No: AG0047JR MDL No:
Product Description
Catalog Number:
AG0047JR
Chemical Name:
Benzoic acid, 4-[3-(2-phenyl-1-aziridinyl)propyl]-, methyl ester
CAS Number:
88961-03-9
Molecular Formula:
C19H21NO2
Molecular Weight:
295.3755
IUPAC Name:
methyl 4-[3-(2-phenylaziridin-1-yl)propyl]benzoate
InChI:
InChI=1S/C19H21NO2/c1-22-19(21)17-11-9-15(10-12-17)6-5-13-20-14-18(20)16-7-3-2-4-8-16/h2-4,7-12,18H,5-6,13-14H2,1H3
InChI Key:
UKAYOSWRYBIRNP-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)CCCN1CC1c1ccccc1
Properties
Complexity:
356
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:
7
Topological Polar Surface Area:
29.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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