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1233860-11-1 | (S)-tert-Butyl 1-(3-nitropyridin-2-yl)pyrrolidin-3-ylcarbamate
CAS No: 1233860-11-1 Catalog No: AG01ER55 MDL No:
Product Description
Catalog Number:
AG01ER55
Chemical Name:
(S)-tert-Butyl 1-(3-nitropyridin-2-yl)pyrrolidin-3-ylcarbamate
CAS Number:
1233860-11-1
Molecular Formula:
C14H20N4O4
Molecular Weight:
308.3330
IUPAC Name:
tert-butyl N-[(3S)-1-(3-nitropyridin-2-yl)pyrrolidin-3-yl]carbamate
InChI:
InChI=1S/C14H20N4O4/c1-14(2,3)22-13(19)16-10-6-8-17(9-10)12-11(18(20)21)5-4-7-15-12/h4-5,7,10H,6,8-9H2,1-3H3,(H,16,19)/t10-/m0/s1
InChI Key:
IUXNCGRUHMYCFX-JTQLQIEISA-N
SMILES:
O=C(OC(C)(C)C)N[C@H]1CCN(C1)c1ncccc1[N+](=O)[O-]
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
308.148g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.338g/mol
Monoisotopic Mass:
308.148g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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