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330646-55-4

330646-55-4 | N,N'-Dicyclopropyl-5-nitroisophthalamide

CAS No: 330646-55-4 Catalog No: AG00I6DH MDL No:MFCD01907042

Product Description

Catalog Number:
AG00I6DH
Chemical Name:
N,N'-Dicyclopropyl-5-nitroisophthalamide
CAS Number:
330646-55-4
Molecular Formula:
C14H15N3O4
Molecular Weight:
289.2866
MDL Number:
MFCD01907042
IUPAC Name:
1-N,3-N-dicyclopropyl-5-nitrobenzene-1,3-dicarboxamide
InChI:
InChI=1S/C14H15N3O4/c18-13(15-10-1-2-10)8-5-9(7-12(6-8)17(20)21)14(19)16-11-3-4-11/h5-7,10-11H,1-4H2,(H,15,18)(H,16,19)
InChI Key:
CDWAYSLDUNOSGY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1)C(=O)NC1CC1)C(=O)NC1CC1

Properties

Complexity:
420  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.106g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
289.291g/mol
Monoisotopic Mass:
289.106g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  

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