4'-Bromomethoxystilbene - CAS 119421-16-8

Catalog:	BB004497
Product Name:	4'-Bromomethoxystilbene
CAS:	119421-16-8
Synonyms:	1-bromo-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	1-(bromomethoxy)-4-[(E)-2-phenylethenyl]benzene
Description:	4'-Bromomethoxystilbene (CAS# 119421-16-8 ) is a useful research chemical.
Molecular Weight:	289.17
Molecular Formula:	C15H13BrO
Canonical SMILES:	COC1=CC=C(C=C1)C=CC2=CC=C(C=C2)Br
InChI:	InChI=1S/C15H13BrO/c1-17-15-10-6-13(7-11-15)3-2-12-4-8-14(16)9-5-12/h2-11H,1H3/b3-2+
InChI Key:	OMOIPOCKMRWDEC-NSCUHMNNSA-N
LogP:	4.62810

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]; H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement:	P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P333+P313, P362+P364, P391, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	225
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	288.01498
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	288.01498
Rotatable Bond Count:	4
Topological Polar Surface Area:	9.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	5