AG003A5Q

1060808-92-5 | 6-BROMO-4-CHLORONICOTINIC ACID

AG003A5Q

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CAS Number	1060808-92-5
Catalog Number	AG003A5Q(AGN-PC-0WAGC2)
Chemical Name	6-BROMO-4-CHLORONICOTINIC ACID
IUPAC Name	6-bromo-4-chloropyridine-3-carboxylic acid
InChI	InChI=1S/C6H3BrClNO2/c7-5-1-4(8)3(2-9-5)6(10)11/h1-2H,(H,10,11)
InChI Key	XWVFYJPQFMTKCQ-UHFFFAOYSA-N
MDL Number	MFCD13189219
Molecular Formula	C6H3BrClNO2
Molecular Weight	236.4505
SMILES	BrC1=NC=C(C(=O)O)C(=C1)Cl
Synonyms	6-BROMO-4-CHLORONICOTINIC ACID, 1060808-92-5, AK161047, SCHEMBL3990094, KS-00000SKK, XWVFYJPQFMTKCQ-UHFFFAOYSA-N, MFCD13189219, ZINC95642400, AKOS024464646, AB67976, CS-W000449, FCH1381188, AS-47068, 6-Bromo-4-chloronicotinic acid, AldrichCPR, AJ-133410, AX8294032, 6-bromo-4-chloro-pyridine-3-carboxylic acid, ST24045183,

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	2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number