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1-methoxy-4-nitrobenzene

CAT: 1299-RG-E242692-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-E242692-01Size:10 mg
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CAS Number
100-17-4
Synonyms
1-methoxy-4-nitrobenzene
Molecular Formula
C7H7NO3
Molecular Weight
153.14

Chemical Information

4-Nitroanisole

Para-Nitroanisole can cause cancer according to California Labor Code.

CAS Number100-17-4
PubChem CID7485
IUPAC Name1-methoxy-4-nitrobenzene
Molecular FormulaC7H7NO3
Molecular Weight153.14
XLogP2
Topological Polar Surface Area55.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity135
SMILES
COC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C7H7NO3/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3
InChIKey
BNUHAJGCKIQFGE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Nitroanisole
CAS: 100-17-4
CID: 7485
Formula: C7H7NO3
MW: 153.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight153.14
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass153.042593085
Monoisotopic Mass153.042593085
Topological Polar Surface Area55.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity135
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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GAA37819-014- (Chloromethyl) -1-methoxy-2-nitrobenzene
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