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Home > Nitro Compounds > 13278-84-7
13278-84-7 | Carbamic acid, (2,4-dinitrophenoxy)-, ethyl ester (7CI,8CI)
CAS No: 13278-84-7 Catalog No: AG00115P MDL No:
Product Description
Catalog Number:
AG00115P
Chemical Name:
Carbamic acid, (2,4-dinitrophenoxy)-, ethyl ester (7CI,8CI)
CAS Number:
13278-84-7
Molecular Formula:
C9H9N3O7
Molecular Weight:
271.1837
IUPAC Name:
ethyl N-(2,4-dinitrophenoxy)carbamate
InChI:
InChI=1S/C9H9N3O7/c1-2-18-9(13)10-19-8-4-3-6(11(14)15)5-7(8)12(16)17/h3-5H,2H2,1H3,(H,10,13)
InChI Key:
IFJVFZXMHAKZIG-UHFFFAOYSA-N
SMILES:
CCOC(=O)NOc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.044g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
271.185g/mol
Monoisotopic Mass:
271.044g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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