2-Bromo-3-fluorobenzoic acid - CAS 132715-69-6

Catalog:	BB007624
Product Name:	2-Bromo-3-fluorobenzoic acid
CAS:	132715-69-6
Synonyms:	2-bromo-3-fluorobenzoic acid; 2-bromo-3-fluorobenzoic acid

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Computed Properties

IUPAC Name:	2-bromo-3-fluorobenzoic acid
Description:	2-Bromo-3-fluorobenzoic acid (CAS# 132715-69-6) is a useful research chemical.
Molecular Weight:	219.01
Molecular Formula:	C7H4BrFO2
Canonical SMILES:	C1=CC(=C(C(=C1)F)Br)C(=O)O
InChI:	InChI=1S/C7H4BrFO2/c8-6-4(7(10)11)2-1-3-5(6)9/h1-3H,(H,10,11)
InChI Key:	KQRCBMPPEPNNDS-UHFFFAOYSA-N
Boiling Point:	292.7 ℃ at 760 mmHg
Melting Point:	158-160 ℃
Purity:	95 %
Density:	1.789 g/cm³
Appearance:	Off-white powder
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD01569398
LogP:	2.28640

Publication Number	Title	Priority Date
CN-112159405-A	Pyridopyrimidinone compounds and application thereof	20200204
CN-112159405-B	Pyridopyrimidinone compounds and application thereof	20200204
WO-2021155716-A1	Pyridopyrimidinone compound and application thereof	20200204
WO-2021119753-A1	Compounds	20191218
WO-2021115286-A1	Six-membered and five-membered aromatic ring derivative containing nitrogen heteroatoms which can be used as shp2 inhibitor	20191210

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Related Functional Groups

Carbonyl Compounds

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[17746-05-3]
Undecanoyl chloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid
[1016519-61-1]
2-(Methyl-2-pyridylamino)acetic Acid

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	217.93787
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	217.93787
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2