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1-Bromo-4-nitrobenzene

CAT: 0572-TRC-B687215-100GSize: 100 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-B687215-100GSize:100 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
586-78-7
Synonyms
4-Bromo-1-nitrobenzene; 4-Bromonitrobenzene; 4-Nitro-1-bromobenzene; 4-Nitrobromobenzene; 4-Nitrophenyl Bromide; NSC 3526; p-Bromonitrobenzene; p-Nitrobromobenzene; p-Nitrophenyl Bromide
Hazard Statement
Harmful if swallowed.
Smiles
[O-][N+](=O)c1ccc(Br)cc1
Molecular Formula
C6H4BrNO2
Molecular Weight
202.01
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

1-Bromo-4-nitrobenzene

structure in first source

CAS Number586-78-7
PubChem CID11466
IUPAC Name1-bromo-4-nitrobenzene
Molecular FormulaC6H4BrNO2
Molecular Weight202.01
XLogP2.5
Topological Polar Surface Area45.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity126
SMILES
C1=CC(=CC=C1[N+](=O)[O-])Br
InChI
InChI=1S/C6H4BrNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H
InChIKey
ZDFBKZUDCQQKAC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Bromo-4-nitrobenzene
CAS: 586-78-7
CID: 11466
Formula: C6H4BrNO2
MW: 202.01
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight202.01
XLogP32.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass200.94254
Monoisotopic Mass200.94254
Topological Polar Surface Area45.8 Ų
Heavy Atom Count10
Formal Charge0
Complexity126
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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