Name: Name:Carbamic acid, N-(2-methyl-3,5-dinitrophenyl)-, 1,1-dimethylethyl ester
Brand: Angene
SKU: AG001QXN
Rating: 90 (10 reviews)

Carbamic acid, N-(2-methyl-3,5-dinitrophenyl)-, 1,1-dimethylethyl ester

CAS No.:

1588441-20-6

Catalog Number:

AG001QXN

Molecular Formula:

C12H15N3O6

Molecular Weight:

297.2640

Catalog Number:

AG001QXN

Chemical Name:

Carbamic acid, N-(2-methyl-3,5-dinitrophenyl)-, 1,1-dimethylethyl ester

CAS Number:

1588441-20-6

Molecular Formula:

C12H15N3O6

Molecular Weight:

297.2640

IUPAC Name:

tert-butyl N-(2-methyl-3,5-dinitrophenyl)carbamate

InChI:

InChI=1S/C12H15N3O6/c1-7-9(13-11(16)21-12(2,3)4)5-8(14(17)18)6-10(7)15(19)20/h5-6H,1-4H3,(H,13,16)

InChI Key:

YNDRBUAYGVFYTM-UHFFFAOYSA-N

SMILES:

O=C(OC(C)(C)C)Nc1cc(cc(c1C)[N+](=O)[O-])[N+](=O)[O-]

Complexity:

422

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

297.096g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

297.267g/mol

Monoisotopic Mass:

297.096g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

130A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.5