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Home > Nitro Compounds > 1178153-54-2
1178153-54-2 | [4-(3-nitrophenoxy)phenyl]methanol
CAS No: 1178153-54-2 Catalog No: AG019YRP MDL No:MFCD12863622
Product Description
Catalog Number:
AG019YRP
Chemical Name:
[4-(3-nitrophenoxy)phenyl]methanol
CAS Number:
1178153-54-2
Molecular Formula:
C13H11NO4
Molecular Weight:
245.2307
MDL Number:
MFCD12863622
IUPAC Name:
[4-(3-nitrophenoxy)phenyl]methanol
InChI:
InChI=1S/C13H11NO4/c15-9-10-4-6-12(7-5-10)18-13-3-1-2-11(8-13)14(16)17/h1-8,15H,9H2
InChI Key:
XZTZGVPWRHKWPW-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1)Oc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
271
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:
3
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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