(5-Bromo-2-nitrophenyl)methanol - CAS 1241894-37-0

Catalog:	BB055385
Product Name:	(5-Bromo-2-nitrophenyl)methanol
CAS:	1241894-37-0
Synonyms:	(5-BROMO-2-NITROPHENYL)METHANOL; 5-Bromo-2-nitrobenzyl alcohol; Benzenemethanol, 5-bromo-2-nitro-; 5-bromo-2-nitrobenzenemethanol

Technical Data

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Computed Properties

IUPAC Name:	(5-bromo-2-nitrophenyl)methanol
Description:	(5-Bromo-2-nitrophenyl)methanol
Molecular Weight:	232.03
Molecular Formula:	C7H6BrNO3
Canonical SMILES:	C1=CC(=C(C=C1Br)CO)[N+](=O)[O-]
InChI:	InChI=1S/C7H6BrNO3/c8-6-1-2-7(9(11)12)5(3-6)4-10/h1-3,10H,4H2
InChI Key:	UGQKJJIHTCXFJT-UHFFFAOYSA-N

Publication Number	Title	Priority Date
EP-3523289-A1	Heterocyclic compounds as inhibitors of ras and methods of use thereof	20161007
JP-2019534260-A	Heterocyclic compounds as inhibitors of RAS and methods of use thereof	20161007
US-10377743-B2	Inhibitors of RAS and methods of use thereof	20161007
US-2018127396-A1	Inhibitors of ras and methods of use thereof	20161007
WO-2018068017-A1	Heterocyclic compounds as inhibitors of ras and methods of use thereof	20161007
AU-2017205320-A1	Fused quadracyclic compounds, compositions and uses thereof	20160104
CA-3010213-A1	Fused quadracyclic compounds, compositions and uses thereof	20160104
EP-3400228-A1	Fused quadracyclic compounds, compositions and uses thereof	20160104
JP-2019501971-A	Fused tetracyclic compounds, compositions and uses thereof	20160104
TW-201726681-A	Fused tetracyclic compound and composition thereof and use thereof	20160104

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	171
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	230.95311
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	230.95311
Rotatable Bond Count:	1
Topological Polar Surface Area:	66Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4