5-Bromo-3-chloro-2-methoxypyridine - CAS 848366-28-9

Catalog:	BB037332
Product Name:	5-Bromo-3-chloro-2-methoxypyridine
CAS:	848366-28-9
Synonyms:	5-bromo-3-chloro-2-methoxypyridine; 5-bromo-3-chloro-2-methoxypyridine

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-3-chloro-2-methoxypyridine
Description:	5-Bromo-3-chloro-2-methoxypyridine (CAS# 848366-28-9) is a useful research chemical.
Molecular Weight:	222.47
Molecular Formula:	C6H5BrClNO
Canonical SMILES:	COC1=NC=C(C=C1Cl)Br
InChI:	InChI=1S/C6H5BrClNO/c1-10-6-5(8)2-4(7)3-9-6/h2-3H,1H3
InChI Key:	XCHXNAQRMMXBGN-UHFFFAOYSA-N
Boiling Point:	219.3 °C at 760 mmHg
Density:	1.65 g/cm³
MDL:	MFCD04972382
LogP:	2.50610

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GHS Hazard Statement:	H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	114
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	220.92430
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	220.92430
Rotatable Bond Count:	1
Topological Polar Surface Area:	22.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5