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Home > Nitro Compounds > 100867-08-1
100867-08-1 | Benzene, 1-methoxy-4-[(4-nitrophenyl)methoxy]-
CAS No: 100867-08-1 Catalog No: AG00031S MDL No:MFCD00433950
Product Description
Catalog Number:
AG00031S
Chemical Name:
Benzene, 1-methoxy-4-[(4-nitrophenyl)methoxy]-
CAS Number:
100867-08-1
Molecular Formula:
C14H13NO4
Molecular Weight:
259.2573
MDL Number:
MFCD00433950
IUPAC Name:
1-[(4-methoxyphenoxy)methyl]-4-nitrobenzene
InChI:
InChI=1S/C14H13NO4/c1-18-13-6-8-14(9-7-13)19-10-11-2-4-12(5-3-11)15(16)17/h2-9H,10H2,1H3
InChI Key:
XGVAEAVGTOZSNS-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)OCc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.084g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.261g/mol
Monoisotopic Mass:
259.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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