2-Bromo-5-fluoro-4-methylbenzaldehyde - CAS 916792-21-7

Catalog:	BB040315
Product Name:	2-Bromo-5-fluoro-4-methylbenzaldehyde
CAS:	916792-21-7
Synonyms:	2-bromo-5-fluoro-4-methylbenzaldehyde; 2-bromo-5-fluoro-4-methylbenzaldehyde

Technical Data

Patents

Computed Properties

IUPAC Name:	2-bromo-5-fluoro-4-methylbenzaldehyde
Description:	2-Bromo-5-fluoro-4-methylbenzaldehyde (CAS# 916792-21-7) is a useful research chemical.
Molecular Weight:	217.04
Molecular Formula:	C8H6BrFO
Canonical SMILES:	CC1=C(C=C(C(=C1)Br)C=O)F
InChI:	InChI=1S/C8H6BrFO/c1-5-2-7(9)6(4-11)3-8(5)10/h2-4H,1H3
InChI Key:	RKDXMZSJZPGBRQ-UHFFFAOYSA-N
Boiling Point:	248.818 °C at 760 mmHg
Density:	1.575 g/cm³
Appearance:	White to yellow solid
LogP:	2.70910

Publication Number	Title	Priority Date
WO-2019214399-A1	Benzo- seven-membered heterocyclic compound, preparation method therefor, pharmaceutical composition thereof, and application thereof	20180510
CN-111819181-A	Benzo-seven-membered heterocyclic compound, preparation method, pharmaceutical composition and application thereof	20180510
AU-2017357329-A1	Nitrogenous macrocyclic compound, preparation method therefor, pharmaceutical composition and application thereof	20161110
CA-3045855-A1	Nitrogenous macrocyclic compound, preparation method therefor, pharmaceutical composition and application thereof	20161110
EP-3539960-A1	Nitrogenous macrocyclic compound, preparation method therefor, pharmaceutical composition and application thereof	20161110

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Complexity:	151
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	215.95861
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	215.95861
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5