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Home > Nitro Compounds > 13268-96-7
13268-96-7 | Phenol, 2-(1,1-dimethylethyl)-4,6-dinitro-, 1-carbamate
CAS No: 13268-96-7 Catalog No: AG0010Z6 MDL No:
Product Description
Catalog Number:
AG0010Z6
Chemical Name:
Phenol, 2-(1,1-dimethylethyl)-4,6-dinitro-, 1-carbamate
CAS Number:
13268-96-7
Molecular Formula:
C11H13N3O6
Molecular Weight:
283.2374
IUPAC Name:
(2-tert-butyl-4,6-dinitrophenyl) carbamate
InChI:
InChI=1S/C11H13N3O6/c1-11(2,3)7-4-6(13(16)17)5-8(14(18)19)9(7)20-10(12)15/h4-5H,1-3H3,(H2,12,15)
InChI Key:
WSEKTAKGWNNHMA-UHFFFAOYSA-N
SMILES:
NC(=O)Oc1c(cc(cc1C(C)(C)C)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.08g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
283.24g/mol
Monoisotopic Mass:
283.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
144A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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