AG006A53

959245-12-6 | Methyl 6-chloro-1H-pyrrolo[3,2-b]pyridine-3-carboxylate

AG006A53

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CAS Number	959245-12-6
Catalog Number	AG006A53(AGN-PC-0WALLY)
Chemical Name	Methyl 6-chloro-1H-pyrrolo[3,2-b]pyridine-3-carboxylate
IUPAC Name	methyl 6-chloro-1H-pyrrolo[3,2-b]pyridine-3-carboxylate
InChI	InChI=1S/C9H7ClN2O2/c1-14-9(13)6-4-11-7-2-5(10)3-12-8(6)7/h2-4,11H,1H3
InChI Key	RESWVHCNJSPUGN-UHFFFAOYSA-N
MDL Number	MFCD09864658
Molecular Formula	C9H7ClN2O2
Molecular Weight	210.6171
SMILES	O=C(C1=CNC2=CC(Cl)=CN=C21)OC
Synonyms	METHYL 6-CHLORO-1H-PYRROLO[3,2-B]PYRIDINE-3-CARBOXYLATE, 959245-12-6, AK-68155, PubChem20923, SCHEMBL9937275, CTK5H8424, DTXSID20662725, MFCD09864658, ZINC37593649, AKOS015945663, FCH1394373, SB21079, AJ-94071, DS-16875, SC-14744, ST24048042, methyl 6-chloro-1H-pyrrolo[3,2-b]pyridine-3-carbox, Methyl6-chloro-1H-pyrrolo[3,2-b]pyridine-3-carboxylate,

Complexity	237
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	210.02g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	210.617g/mol
Monoisotopic Mass	210.02g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	55A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H317-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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