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115750-59-9 | Phenol, 2-amino-4-[2-methoxy-4-(phenylmethoxy)phenoxy]-5-nitro-
CAS No: 115750-59-9 Catalog No: AG000GT7 MDL No:
Product Description
Catalog Number:
AG000GT7
Chemical Name:
Phenol, 2-amino-4-[2-methoxy-4-(phenylmethoxy)phenoxy]-5-nitro-
CAS Number:
115750-59-9
Molecular Formula:
C20H18N2O6
Molecular Weight:
382.3667
IUPAC Name:
2-amino-4-(2-methoxy-4-phenylmethoxyphenoxy)-5-nitrophenol
InChI:
InChI=1S/C20H18N2O6/c1-26-20-9-14(27-12-13-5-3-2-4-6-13)7-8-18(20)28-19-10-15(21)17(23)11-16(19)22(24)25/h2-11,23H,12,21H2,1H3
InChI Key:
WJPHEHVHIYVPGU-UHFFFAOYSA-N
SMILES:
COc1cc(OCc2ccccc2)ccc1Oc1cc(N)c(cc1[N+](=O)[O-])O
Properties
Complexity:
496
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
382.116g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
382.372g/mol
Monoisotopic Mass:
382.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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