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1-(4-Bromophenyl)cyclopropanecarboxylic Acid

1-(4-Bromophenyl)cyclopropanecarboxylic Acid - CAS 345965-52-8

Catalog:	BB022194
Product Name:	1-(4-Bromophenyl)cyclopropanecarboxylic Acid
CAS:	345965-52-8
Synonyms:	1-(4-bromophenyl)-1-cyclopropanecarboxylic acid; 1-(4-bromophenyl)cyclopropane-1-carboxylic acid

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Computed Properties

IUPAC Name:	1-(4-bromophenyl)cyclopropane-1-carboxylic acid
Description:	1-(4-Bromophenyl)cyclopropanecarboxylic Acid (CAS# 345965-52-8) is a useful research chemical.
Molecular Weight:	241.08
Molecular Formula:	C10H9BrO2
Canonical SMILES:	C1CC1(C2=CC=C(C=C2)Br)C(=O)O
InChI:	InChI=1S/C10H9BrO2/c11-8-3-1-7(2-4-8)10(5-6-10)9(12)13/h1-4H,5-6H2,(H,12,13)
InChI Key:	BYJIXWOWTNEVFO-UHFFFAOYSA-N
Boiling Point:	354.34 °C at 760 mmHg
Density:	1.671 g/cm³
MDL:	MFCD07374439
LogP:	2.56530

Publication Number	Title	Priority Date
CN-111377838-A	Alkyl-alkyl sulfone compound with large steric hindrance, and synthetic method and application thereof	20200309
CN-111377838-B	Alkyl-alkyl sulfone compound with large steric hindrance, and synthetic method and application thereof	20200309
WO-2021130492-A1	Carboxy derivatives with antiinflammatory properties	20191223
CN-112812061-A	N-aryl-1, 2,3, 4-tetrahydroisoquinoline-7-amine compound and application thereof	20191210
CN-111434655-A	Lysophosphatidic acid receptor antagonists and process for their preparation	20190115

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	215
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	239.97859
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	239.97859
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4