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Nitrobenzene

CAT: 1596-AR-N01887-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-N01887-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
98-95-3
Synonyms
Nitrobenzene; Nitrobenzol; Benzene, nitro-; Oil of mirbane; Mirbane oil; Essence of mirbane; nitro-Benzene; Nitrobenzeen; Oil of myrbane; Nitrobenzen; Mononitrobenzene
Molecular Formula
C6H5NO2
Molecular Weight
123.11
API Name
Misc

Chemical Information

Nitrobenzene

Nitrobenzene can cause cancer according to The World Health Organization's International Agency for Research on Cancer (IARC). It can cause male reproductive toxicity according to The Environmental Protection Agency (EPA).

CAS Number98-95-3
PubChem CID7416
IUPAC Namenitrobenzene
Molecular FormulaC6H5NO2
Molecular Weight123.11
XLogP1.9
Topological Polar Surface Area45.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity102
SMILES
C1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C6H5NO2/c8-7(9)6-4-2-1-3-5-6/h1-5H
InChIKey
LQNUZADURLCDLV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nitrobenzene
CAS: 98-95-3
CID: 7416
Formula: C6H5NO2
MW: 123.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight123.11
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass123.032028402
Monoisotopic Mass123.032028402
Topological Polar Surface Area45.8 Ų
Heavy Atom Count9
Formal Charge0
Complexity102
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

Related Products

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