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Home > Nitro Compounds > 114656-74-5
114656-74-5 | Benzene, 1-methoxy-4-nitro-2,5-bis(phenylmethoxy)-
CAS No: 114656-74-5 Catalog No: AG000EXP MDL No:
Product Description
Catalog Number:
AG000EXP
Chemical Name:
Benzene, 1-methoxy-4-nitro-2,5-bis(phenylmethoxy)-
CAS Number:
114656-74-5
Molecular Formula:
C21H19NO5
Molecular Weight:
365.3793
IUPAC Name:
1-methoxy-4-nitro-2,5-bis(phenylmethoxy)benzene
InChI:
InChI=1S/C21H19NO5/c1-25-20-13-19(26-14-16-8-4-2-5-9-16)18(22(23)24)12-21(20)27-15-17-10-6-3-7-11-17/h2-13H,14-15H2,1H3
InChI Key:
LLHUKXCQPOGJOX-UHFFFAOYSA-N
SMILES:
COc1cc(OCc2ccccc2)c(cc1OCc1ccccc1)[N+](=O)[O-]
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.126g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
365.385g/mol
Monoisotopic Mass:
365.126g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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