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113748-36-0

113748-36-0 | Morpholine, 4-(2,4-dinitro-1-naphthalenyl)-

CAS No: 113748-36-0 Catalog No: AG0009KV MDL No:

Product Description

Catalog Number:
AG0009KV
Chemical Name:
Morpholine, 4-(2,4-dinitro-1-naphthalenyl)-
CAS Number:
113748-36-0
Molecular Formula:
C14H13N3O5
Molecular Weight:
303.2701
IUPAC Name:
4-(2,4-dinitronaphthalen-1-yl)morpholine
InChI:
InChI=1S/C14H13N3O5/c18-16(19)12-9-13(17(20)21)14(15-5-7-22-8-6-15)11-4-2-1-3-10(11)12/h1-4,9H,5-8H2
InChI Key:
XEBFGXIHNRNKKM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc([N+](=O)[O-])c2c(c1N1CCOCC1)cccc2

Properties

Complexity:
429  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.086g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.274g/mol
Monoisotopic Mass:
303.086g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  

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