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Home > Nitro Compounds > 87740-07-6
87740-07-6 | Benzenemethanol, 4-[(4-nitrophenoxy)methyl]-
CAS No: 87740-07-6 Catalog No: AG004IOS MDL No:
Product Description
Catalog Number:
AG004IOS
Chemical Name:
Benzenemethanol, 4-[(4-nitrophenoxy)methyl]-
CAS Number:
87740-07-6
Molecular Formula:
C14H13NO4
Molecular Weight:
259.2573
IUPAC Name:
[4-[(4-nitrophenoxy)methyl]phenyl]methanol
InChI:
InChI=1S/C14H13NO4/c16-9-11-1-3-12(4-2-11)10-19-14-7-5-13(6-8-14)15(17)18/h1-8,16H,9-10H2
InChI Key:
CNWRVNZLOLYLTF-UHFFFAOYSA-N
SMILES:
OCc1ccc(cc1)COc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.084g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
259.261g/mol
Monoisotopic Mass:
259.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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