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88961-02-8 | Benzamide, 4-[3-[2-(3-chlorophenyl)-1-aziridinyl]propyl]-
CAS No: 88961-02-8 Catalog No: AG0046JF MDL No:
Product Description
Catalog Number:
AG0046JF
Chemical Name:
Benzamide, 4-[3-[2-(3-chlorophenyl)-1-aziridinyl]propyl]-
CAS Number:
88961-02-8
Molecular Formula:
C18H19ClN2O
Molecular Weight:
314.8093
IUPAC Name:
4-[3-[2-(3-chlorophenyl)aziridin-1-yl]propyl]benzamide
InChI:
InChI=1S/C18H19ClN2O/c19-16-5-1-4-15(11-16)17-12-21(17)10-2-3-13-6-8-14(9-7-13)18(20)22/h1,4-9,11,17H,2-3,10,12H2,(H2,20,22)
InChI Key:
UUPASTGTIQCCCM-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)C1CN1CCCc1ccc(cc1)C(=O)N
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.119g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.813g/mol
Monoisotopic Mass:
314.119g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
46.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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