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22943-98-2

22943-98-2 | Benzene, 1,1'-methylenebis[4,5-dimethoxy-2-nitro-

CAS No: 22943-98-2 Catalog No: AG002LLV MDL No:

Product Description

Catalog Number:
AG002LLV
Chemical Name:
Benzene, 1,1'-methylenebis[4,5-dimethoxy-2-nitro-
CAS Number:
22943-98-2
Molecular Formula:
C17H18N2O8
Molecular Weight:
378.3334
IUPAC Name:
1-[(4,5-dimethoxy-2-nitrophenyl)methyl]-4,5-dimethoxy-2-nitrobenzene
InChI:
InChI=1S/C17H18N2O8/c1-24-14-6-10(12(18(20)21)8-16(14)26-3)5-11-7-15(25-2)17(27-4)9-13(11)19(22)23/h6-9H,5H2,1-4H3
InChI Key:
DTQGCNHHPLOSHH-UHFFFAOYSA-N
SMILES:
COc1cc(Cc2cc(OC)c(cc2[N+](=O)[O-])OC)c(cc1OC)[N+](=O)[O-]
NSC Number:
139633

Properties

Complexity:
464  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.106g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
378.337g/mol
Monoisotopic Mass:
378.106g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  

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