3-Bromo-4-nitrophenol

CAT: 0024-sc-206632Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-206632Size:250 mg

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CAS Number

5470-65-5

Chemical Information

3-Bromo-4-nitrophenol

CAS Number	5470-65-5
PubChem CID	21647
IUPAC Name	3-bromo-4-nitrophenol
Molecular Formula	C6H4BrNO3
Molecular Weight	218.00
XLogP	1.9
Topological Polar Surface Area	66.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	158

SMILES

C1=CC(=C(C=C1O)Br)[N+](=O)[O-]

InChI

InChI=1S/C6H4BrNO3/c7-5-3-4(9)1-2-6(5)8(10)11/h1-3,9H

InChIKey

SZYVPWPBRABKAB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 5470-65-5

CID: 21647

Formula: C6H4BrNO3

MW: 218.00

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	218.00
XLogP3	1.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	216.93746
Monoisotopic Mass	216.93746
Topological Polar Surface Area	66.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	158
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

Catalog	Name
sc-287852	2-Bromo-4-nitrophenol
sc-254623	4-Bromo-2-nitrophenol
sc-352215	2-Bromo-3-nitrophenol
sc-356405	2-Bromo-6- (hydroxymethyl) -4-nitrophenol
sc-341501	2-bromo-4-chloro-6-nitrophenol
sc-287861A	2-Bromo-6-fluoro-4-nitrophenol
sc-225205	2-Bromo-4-methoxy-6-nitrophenol
sc-341501A	2-bromo-4-chloro-6-nitrophenol
sc-356405A	2-Bromo-6- (hydroxymethyl) -4-nitrophenol
sc-232442	4-Bromo-2-fluoro-6-nitrophenol