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137944-66-2 | Dibenzo[b,e][1,4]dioxin-1-carboxamide, N-[2-(dimethylamino)ethyl]-7-nitro-
CAS No: 137944-66-2 Catalog No: AG0017PX MDL No:
Product Description
Catalog Number:
AG0017PX
Chemical Name:
Dibenzo[b,e][1,4]dioxin-1-carboxamide, N-[2-(dimethylamino)ethyl]-7-nitro-
CAS Number:
137944-66-2
Molecular Formula:
C17H17N3O5
Molecular Weight:
343.3340
IUPAC Name:
N-[2-(dimethylamino)ethyl]-7-nitrodibenzo-p-dioxin-1-carboxamide
InChI:
InChI=1S/C17H17N3O5/c1-19(2)9-8-18-17(21)12-4-3-5-14-16(12)25-13-7-6-11(20(22)23)10-15(13)24-14/h3-7,10H,8-9H2,1-2H3,(H,18,21)
InChI Key:
CDERSFOVONNAKI-UHFFFAOYSA-N
SMILES:
CN(CCNC(=O)c1cccc2c1Oc1ccc(cc1O2)[N+](=O)[O-])C
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.117g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
343.339g/mol
Monoisotopic Mass:
343.117g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
96.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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