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Home > Nitro Compounds > 1286207-84-8
1286207-84-8 | (R)-tert-Butyl 1-(4-nitrobenzyl)pyrrolidin-3-ylcarbamate
CAS No: 1286207-84-8 Catalog No: AG01ERP6 MDL No:
Product Description
Catalog Number:
AG01ERP6
Chemical Name:
(R)-tert-Butyl 1-(4-nitrobenzyl)pyrrolidin-3-ylcarbamate
CAS Number:
1286207-84-8
Molecular Formula:
C16H23N3O4
Molecular Weight:
321.3715
IUPAC Name:
tert-butyl N-[(3R)-1-[(4-nitrophenyl)methyl]pyrrolidin-3-yl]carbamate
InChI:
InChI=1S/C16H23N3O4/c1-16(2,3)23-15(20)17-13-8-9-18(11-13)10-12-4-6-14(7-5-12)19(21)22/h4-7,13H,8-11H2,1-3H3,(H,17,20)/t13-/m1/s1
InChI Key:
ZZXHVDOVHFUPKJ-CYBMUJFWSA-N
SMILES:
O=C(OC(C)(C)C)N[C@@H]1CCN(C1)Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
422
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
321.169g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
321.377g/mol
Monoisotopic Mass:
321.169g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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