3-Bromo-4-ethoxybenzaldehyde - CAS 108373-05-3

Catalog:	BB002261
Product Name:	3-Bromo-4-ethoxybenzaldehyde
CAS:	108373-05-3
Synonyms:	3-bromo-4-ethoxybenzaldehyde; 3-bromo-4-ethoxybenzaldehyde

Technical Data

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Computed Properties

IUPAC Name:	3-bromo-4-ethoxybenzaldehyde
Description:	3-Bromo-4-ethoxybenzaldehyde (CAS# 108373-05-3) is a useful research chemical.
Molecular Weight:	229.07
Molecular Formula:	C9H9BrO2
Canonical SMILES:	CCOC1=C(C=C(C=C1)C=O)Br
InChI:	InChI=1S/C9H9BrO2/c1-2-12-9-4-3-7(6-11)5-8(9)10/h3-6H,2H2,1H3
InChI Key:	TZUUPGZANQRCHD-UHFFFAOYSA-N
Boiling Point:	332.5 °C at 760 mmHg
Density:	1.548 g/cm³
Storage:	Inert atmosphere, 2-8 °C
LogP:	2.66030

Publication Number	Title	Priority Date
AU-2017280334-A1	Phthalazine derivatives as inhibitors of PARP1, PARP2 and/or tubulin useful for the treatment of cancer	20160624
CA-3029004-A1	Phthalazine derivatives as inhibitors of parp1, parp2 and/or tubulin useful for the treatment of cancer	20160624
EP-3475272-A1	Phthalazine derivatives as inhibitors of parp1, parp2 and/or tubulin useful for the treatment of cancer	20160624
JP-2019522681-A	Phthalazine derivatives as inhibitors of PARP1, PARP2, and / or tubulin useful for the treatment of cancer	20160624
KR-20190033534-A	Phthalazine derivatives useful for the treatment of cancer as inhibitors of PARP1, PAP2 and / or tubulin	20160624

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Complexity:	150
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	227.97859
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	227.97859
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4