Methyl 6-Bromopyridazine-3-carboxylate - CAS 65202-52-0

Catalog:	BB032660
Product Name:	Methyl 6-Bromopyridazine-3-carboxylate
CAS:	65202-52-0
Synonyms:	6-bromo-3-pyridazinecarboxylic acid methyl ester; methyl 6-bromopyridazine-3-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 6-bromopyridazine-3-carboxylate
Description:	Methyl 6-Bromopyridazine-3-carboxylate (CAS# 65202-52-0) is a useful research chemical.
Molecular Weight:	217.02
Molecular Formula:	C6H5BrN2O2
Canonical SMILES:	COC(=O)C1=NN=C(C=C1)Br
InChI:	InChI=1S/C6H5BrN2O2/c1-11-6(10)4-2-3-5(7)9-8-4/h2-3H,1H3
InChI Key:	LKZGTZCGPJWPSU-UHFFFAOYSA-N
LogP:	1.02570

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Related Functional Groups

Carbonyl Compounds

[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[1016519-61-1]
2-(Methyl-2-pyridylamino)acetic Acid

GHS Hazard Statement:	H302 (100%): 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:	154
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	215.95344
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	215.95344
Rotatable Bond Count:	2
Topological Polar Surface Area:	52.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6