1-Bromo-4-nitrosobenzene

CAT: 0127-OR1078083Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1078083Size:250 mg

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CAS Number

3623-23-2

Synonyms

4-Bromonitrosobenzene / p-Bromonitrosobenzene / p-Nitrosobromobenzene

MDL Number

MFCD02253202

Purity

>98.0%

Smiles

C1=CC (=CC=C1N=O) Br

Chemical Information

1-Bromo-4-nitrosobenzene

CAS Number	3623-23-2
PubChem CID	346563
IUPAC Name	1-bromo-4-nitrosobenzene
Molecular Formula	C6H4BrNO
Molecular Weight	186.01
XLogP	2.3
Topological Polar Surface Area	29.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	9
Formal Charge	0
Complexity	99

SMILES

C1=CC(=CC=C1N=O)Br

InChI

InChI=1S/C6H4BrNO/c7-5-1-3-6(8-9)4-2-5/h1-4H

InChIKey

KEBOFPCXLHRSEG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3623-23-2

CID: 346563

Formula: C6H4BrNO

MW: 186.01

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	186.01
XLogP3	2.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	184.94763
Monoisotopic Mass	184.94763
Topological Polar Surface Area	29.4 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	99.2
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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