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Home > Nitro Compounds > 6527-33-9
6527-33-9 | Benzene, 1,3-dimethoxy-5-(2-nitroethenyl)-2-(phenylmethoxy)-
CAS No: 6527-33-9 Catalog No: AG00H65T MDL No:
Product Description
Catalog Number:
AG00H65T
Chemical Name:
Benzene, 1,3-dimethoxy-5-(2-nitroethenyl)-2-(phenylmethoxy)-
CAS Number:
6527-33-9
Molecular Formula:
C17H17NO5
Molecular Weight:
315.3206
IUPAC Name:
1,3-dimethoxy-5-(2-nitroethenyl)-2-phenylmethoxybenzene
InChI:
InChI=1S/C17H17NO5/c1-21-15-10-14(8-9-18(19)20)11-16(22-2)17(15)23-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3
InChI Key:
XNLXRYABLLCUPF-UHFFFAOYSA-N
SMILES:
COc1cc(C=C[N+](=O)[O-])cc(c1OCc1ccccc1)OC
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.111g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.325g/mol
Monoisotopic Mass:
315.111g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
73.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.6
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