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886493-56-7 | (4-Chloro-phenyl)-(4,5-dimethoxy-2-nitro-phenyl)-methanol
CAS No: 886493-56-7 Catalog No: AG01EY8G MDL No:
Product Description
Catalog Number:
AG01EY8G
Chemical Name:
(4-Chloro-phenyl)-(4,5-dimethoxy-2-nitro-phenyl)-methanol
CAS Number:
886493-56-7
Molecular Formula:
C15H14ClNO5
Molecular Weight:
323.7284
IUPAC Name:
(4-chlorophenyl)-(4,5-dimethoxy-2-nitrophenyl)methanol
InChI:
InChI=1S/C15H14ClNO5/c1-21-13-7-11(12(17(19)20)8-14(13)22-2)15(18)9-3-5-10(16)6-4-9/h3-8,15,18H,1-2H3
InChI Key:
MBZHDXGNLIUEPZ-UHFFFAOYSA-N
SMILES:
COc1cc(C(c2ccc(cc2)Cl)O)c(cc1OC)[N+](=O)[O-]
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.056g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.729g/mol
Monoisotopic Mass:
323.056g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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