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Home > Nitro Compounds > 100663-79-4
100663-79-4 | Carbamic acid, (2,6-dinitrophenyl)-, ethyl ester (9CI)
CAS No: 100663-79-4 Catalog No: AG0002LK MDL No:
Product Description
Catalog Number:
AG0002LK
Chemical Name:
Carbamic acid, (2,6-dinitrophenyl)-, ethyl ester (9CI)
CAS Number:
100663-79-4
Molecular Formula:
C9H9N3O6
Molecular Weight:
255.1843
IUPAC Name:
ethyl N-(2,6-dinitrophenyl)carbamate
InChI:
InChI=1S/C9H9N3O6/c1-2-18-9(13)10-8-6(11(14)15)4-3-5-7(8)12(16)17/h3-5H,2H2,1H3,(H,10,13)
InChI Key:
PUHVPYFHXDBIAM-UHFFFAOYSA-N
SMILES:
CCOC(=O)Nc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.049g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.186g/mol
Monoisotopic Mass:
255.049g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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