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4-(2-Bromo-phenoxymethyl)-benzoic acid

4-(2-Bromo-phenoxymethyl)-benzoic acid - CAS 364610-26-4

Catalog:	BB043216
Product Name:	4-(2-Bromo-phenoxymethyl)-benzoic acid
CAS:	364610-26-4
Synonyms:	4-(2-Bromophenoxymethyl)benzoic acid

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	4-[(2-bromophenoxy)methyl]benzoic acid
Description:	4-(2-Bromo-phenoxymethyl)-benzoic acid (CAS# 364610-26-4 ) is a useful research chemical.
Molecular Weight:	307.14
Molecular Formula:	C14H11BrO3
Canonical SMILES:	C1=CC=C(C(=C1)OCC2=CC=C(C=C2)C(=O)O)Br
InChI:	InChI=1S/C14H11BrO3/c15-12-3-1-2-4-13(12)18-9-10-5-7-11(8-6-10)14(16)17/h1-8H,9H2,(H,16,17)
InChI Key:	RSOSIENOPSGTLO-UHFFFAOYSA-N

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	274
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	305.98916
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	305.98916
Rotatable Bond Count:	4
Topological Polar Surface Area:	46.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.6