AG000ODG

1256790-85-8 | 3-Pyridinecarboxylic acid, 5-bromo-4-chloro-

AG000ODG

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CAS Number	1256790-85-8
Catalog Number	AG000ODG(AGN-PC-0WAN8N)
Chemical Name	3-Pyridinecarboxylic acid, 5-bromo-4-chloro-
IUPAC Name	5-bromo-4-chloropyridine-3-carboxylic acid
InChI	InChI=1S/C6H3BrClNO2/c7-4-2-9-1-3(5(4)8)6(10)11/h1-2H,(H,10,11)
InChI Key	AEYIMKNQTWXCNI-UHFFFAOYSA-N
MDL Number	MFCD18257862
Molecular Formula	C6H3BrClNO2
Molecular Weight	236.4505
SMILES	c1(cncc(c1Cl)C(=O)O)Br
Synonyms	5-bromo-4-chloronicotinic acid, 1256790-85-8, SCHEMBL3720517, CTK7J0612, MFCD18257862, ZINC71864187, AKOS022186213, DS-7875, AK144516, 5-Bromo-4-chloronicotinic acid, AldrichCPR, 5-bromo-4-chloropyridine-3-carboxylic acid, AJ-118897, ACN-027976,

Complexity	167
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	234.904g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	236.449g/mol
Monoisotopic Mass	234.904g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	50.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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