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[4- (3-Nitrophenoxy) phenyl]methanol

CAT: 0926-DXB15354-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-DXB15354-01Size:50 mg
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CAS Number
1178153-54-2
MDL Number
MFCD12863622
Smiles
C1=CC (=CC (=C1) OC2=CC=C (C=C2) CO) [N+] (=O) [O-]
Molecular Formula
C13H11NO4
Molecular Weight
245.23 g/mol
Controlled
No

Chemical Information

[4-(3-Nitrophenoxy)phenyl]methanol
CAS Number1178153-54-2
PubChem CID54915386
IUPAC Name[4-(3-nitrophenoxy)phenyl]methanol
Molecular FormulaC13H11NO4
Molecular Weight245.23
XLogP2.8
Topological Polar Surface Area75.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity271
SMILES
C1=CC(=CC(=C1)OC2=CC=C(C=C2)CO)[N+](=O)[O-]
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
InChIKey
XZTZGVPWRHKWPW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [4-(3-Nitrophenoxy)phenyl]methanol
CAS: 1178153-54-2
CID: 54915386
Formula: C13H11NO4
MW: 245.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight245.23
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass245.06880783
Monoisotopic Mass245.06880783
Topological Polar Surface Area75.3 Ų
Heavy Atom Count18
Formal Charge0
Complexity271
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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