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Home > Nitro Compounds > 875483-08-2
875483-08-2 | Carbamic acid, [(1R)-1-(nitromethyl)butyl]-, 1,1-dimethylethyl ester
CAS No: 875483-08-2 Catalog No: AG004DD7 MDL No:
Product Description
Catalog Number:
AG004DD7
Chemical Name:
Carbamic acid, [(1R)-1-(nitromethyl)butyl]-, 1,1-dimethylethyl ester
CAS Number:
875483-08-2
Molecular Formula:
C10H20N2O4
Molecular Weight:
232.2768
IUPAC Name:
tert-butyl N-[(2R)-1-nitropentan-2-yl]carbamate
InChI:
InChI=1S/C10H20N2O4/c1-5-6-8(7-12(14)15)11-9(13)16-10(2,3)4/h8H,5-7H2,1-4H3,(H,11,13)/t8-/m1/s1
InChI Key:
FSIFHIZOINNYIH-MRVPVSSYSA-N
SMILES:
CCC[C@@H](NC(=O)OC(C)(C)C)C[N+](=O)[O-]
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
232.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
232.28g/mol
Monoisotopic Mass:
232.142g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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