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Home > Nitro Compounds > 63801-89-8
63801-89-8 | 4''-METHOXY-5-NITRO-1,1''-BIPHENYL-2-OL
CAS No: 63801-89-8 Catalog No: AG00F6EA MDL No:MFCD06380329
Product Description
Catalog Number:
AG00F6EA
Chemical Name:
4''-METHOXY-5-NITRO-1,1''-BIPHENYL-2-OL
CAS Number:
63801-89-8
Molecular Formula:
C13H11NO4
Molecular Weight:
245.2307
MDL Number:
MFCD06380329
IUPAC Name:
2-(4-methoxyphenyl)-4-nitrophenol
InChI:
InChI=1S/C13H11NO4/c1-18-11-5-2-9(3-6-11)12-8-10(14(16)17)4-7-13(12)15/h2-8,15H,1H3
InChI Key:
LBOZGNDBSCRERA-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1cc(ccc1O)[N+](=O)[O-]
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.069g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
245.234g/mol
Monoisotopic Mass:
245.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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