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125736-15-4 | 9-Azabicyclo[4.2.1]non-2-ene-9-carboxylic acid, 2-(chlorocarbonyl)-, 1,1-dimethylethyl ester, (1R)- (9CI)
CAS No: 125736-15-4 Catalog No: AG000OKV MDL No:
Product Description
Catalog Number:
AG000OKV
Chemical Name:
9-Azabicyclo[4.2.1]non-2-ene-9-carboxylic acid, 2-(chlorocarbonyl)-, 1,1-dimethylethyl ester, (1R)- (9CI)
CAS Number:
125736-15-4
Molecular Formula:
C14H20ClNO3
Molecular Weight:
285.7665
IUPAC Name:
tert-butyl (1R)-2-carbonochloridoyl-9-azabicyclo[4.2.1]non-2-ene-9-carboxylate
InChI:
InChI=1S/C14H20ClNO3/c1-14(2,3)19-13(18)16-9-5-4-6-10(12(15)17)11(16)8-7-9/h6,9,11H,4-5,7-8H2,1-3H3/t9?,11-/m1/s1
InChI Key:
BPRKKWMWEZXYBK-HCCKASOXSA-N
SMILES:
O=C(N1C2CCC=C([C@H]1CC2)C(=O)Cl)OC(C)(C)C
Properties
Complexity:
425
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
285.113g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.768g/mol
Monoisotopic Mass:
285.113g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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