2-Bromo-4-nitrobenzaldehyde - CAS 5274-71-5

Catalog:	BB027928
Product Name:	2-Bromo-4-nitrobenzaldehyde
CAS:	5274-71-5
Synonyms:	2-bromo-4-nitrobenzaldehyde; 2-bromo-4-nitrobenzaldehyde

Technical Data

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Computed Properties

IUPAC Name:	2-bromo-4-nitrobenzaldehyde
Description:	2-Bromo-4-nitrobenzaldehyde (CAS# 5274-71-5) is a useful research chemical.
Molecular Weight:	230.02
Molecular Formula:	C7H4BrNO3
Canonical SMILES:	C1=CC(=C(C=C1[N+](=O)[O-])Br)C=O
InChI:	InChI=1S/C7H4BrNO3/c8-7-3-6(9(11)12)2-1-5(7)4-10/h1-4H
InChI Key:	XKDLLBUNDADXAA-UHFFFAOYSA-N
Boiling Point:	553.5 °C at 760 mmHg
Density:	1.5 g/cm³
LogP:	2.69300

Publication Number	Title	Priority Date
WO-2021065980-A1	Bet degrader	20190930
CN-106810566-A	One class thiophene condenses Ben Bing oxadiazole derivatives and its synthetic method	20170119
CN-107108552-A	Heterocyclic kinase inhibitors	20140805
CN-103554139-A	Thiophene condensed 2,1,3-benzoxadiazole derivative and polymer thereof	20131108
CN-103554139-B	Thiophene condensed 2,1,3-benzoxadiazole derivative and polymer thereof	20131108

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Complexity:	192
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	228.93746
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	228.93746
Rotatable Bond Count:	1
Topological Polar Surface Area:	62.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9