2-(2-Bromo-6-chlorophenyl)acetic Acid - CAS 37777-77-8

Name: 2-(2-Bromo-6-chlorophenyl)acetic Acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB061844
Product Name:	2-(2-Bromo-6-chlorophenyl)acetic Acid
CAS:	37777-77-8
Synonyms:	2-Chloro-6-bromophenylacetic Acid; 2-Bromo-6-chlorobenzeneacetic Acid

Technical Data

IUPAC Name:	2-(2-bromo-6-chlorophenyl)acetic acid
Description:	2-(2-Bromo-6-chlorophenyl)acetic Acid can be used as plant growth-regulating substances.
Molecular Weight:	249.49
Molecular Formula:	C8H6O2ClBr
Canonical SMILES:	C1=CC(=C(C(=C1)Br)CC(=O)O)Cl
InChI:	InChI=1S/C8H6BrClO2/c9-6-2-1-3-7(10)5(6)4-8(11)12/h1-3H,4H2,(H,11,12)
InChI Key:	KTPDPINDCZGYEC-UHFFFAOYSA-N
Melting Point:	159 - 161°C
Solubility:	Chloroform (Slightly), Methanol (Slightly)
Appearance:	White to Off-White Solid
Storage:	-20°C, Inert atmosphere
References:	Chamberlain, V.K., et.al. Ann. Appl. Biol., 69, 65-72, (1971).

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
EP-3517112-A1	Heteroaryl compounds useful as inhibitors of sumo activating enzyme	20140701
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Complexity:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	247.92397
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	247.92397
Rotatable Bond Count:	2
Topological Polar Surface Area:	37.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7