AG00I607

316808-11-4 | 2,6-Pyridinedicarboxylic acid, 3-bromo-, dimethyl ester

AG00I607

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CAS Number	316808-11-4
Catalog Number	AG00I607(AGN-PC-0O8USY)
Chemical Name	2,6-Pyridinedicarboxylic acid, 3-bromo-, dimethyl ester
IUPAC Name	dimethyl 3-bromopyridine-2,6-dicarboxylate
InChI	InChI=1S/C9H8BrNO4/c1-14-8(12)6-4-3-5(10)7(11-6)9(13)15-2/h3-4H,1-2H3
InChI Key	QGQSYOBORZULRZ-UHFFFAOYSA-N
MDL Number	MFCD18258770
Molecular Formula	C9H8BrNO4
Molecular Weight	274.0681
SMILES	O=C(C1=NC(C(OC)=O)=CC=C1Br)OC
Synonyms	Dimethyl 3-bromopyridine-2,6-dicarboxylate, 316808-11-4, AK149304, SCHEMBL17513100, MFCD18258770, ZINC98178980, AKOS022189020, DS-9146, AJ-140086, AX8286587, 2,6-Pyridinedicarboxylic acid, 3-bromo-, dimethyl ester,

Complexity	259
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	272.964g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	274.07g/mol
Monoisotopic Mass	272.964g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	65.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

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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