3-Bromo-5-nitrophenol - CAS 116632-23-6

Name: 3-Bromo-5-nitrophenol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB062112
Product Name:	3-Bromo-5-nitrophenol
CAS:	116632-23-6
Synonyms:	3-bromo-5-nitrophenol; Phenol, 3-bromo-5-nitro-; 5-bromo-3-nitrophenol; 3-Bromo-5-nitro-phenol

Technical Data

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Computed Properties

IUPAC Name:	3-bromo-5-nitrophenol
Description:	3-Bromo-5-nitrophenol
Molecular Weight:	218.01
Molecular Formula:	C6H4BrNO3
Canonical SMILES:	C1=C(C=C(C=C1O)Br)[N+](=O)[O-]
InChI:	InChI=1S/C6H4BrNO3/c7-4-1-5(8(10)11)3-6(9)2-4/h1-3,9H
InChI Key:	VJQGLUHOAIZTNK-UHFFFAOYSA-N

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Related Functional Groups

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
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WO-2020249096-A1	Fused ring compound as fgfr and vegfr dual inhibitor	20190614
CA-3141424-A1	Fused ring compound as fgfr and vegfr dual inhibitor	20190614
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US-2020239476-A1	Gpr35 modulators	20190124
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TW-202043234-A	Gpr35 modulators	20190124
AU-2020210930-A1	GPR35 modulators	20190124
CA-3127786-A1	Gpr35 modulators	20190124

Complexity:	158
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	216.93746
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	216.93746
Rotatable Bond Count:	0
Topological Polar Surface Area:	66Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2