AG0094R2

1211516-18-5 | 6-Bromo-3-methylpyridine-2-carboxylic acid

AG0094R2

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CAS Number	1211516-18-5
Catalog Number	AG0094R2(AGN-PC-0WG3J2)
Chemical Name	6-Bromo-3-methylpyridine-2-carboxylic acid
IUPAC Name	6-bromo-3-methylpyridine-2-carboxylic acid
InChI	InChI=1S/C7H6BrNO2/c1-4-2-3-5(8)9-6(4)7(10)11/h2-3H,1H3,(H,10,11)
InChI Key	KPKYFTBPNJJOHZ-UHFFFAOYSA-N
MDL Number	MFCD16249865
Molecular Formula	C7H6BrNO2
Molecular Weight	216.0320
SMILES	BrC1=CC=C(C(=N1)C(=O)O)C
Synonyms	6-bromo-3-methylpyridine-2-carboxylic acid, 1211516-18-5, 6-bromo-3-methylpicolinic acid, SCHEMBL847125, 6-?bromo-?3-?methylpicolinic acid, MFCD16249865, ZINC96034437, AKOS024133675, NE21173, SB21279, AK668170, AS-53155, SC-82196, CS-0050272, Z2216720818, 6-bromo-3-methylpicolinicacid, ACN-056430,

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	214.958g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	216.034g/mol
Monoisotopic Mass	214.958g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	50.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

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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