AG0000IF

1000341-77-4 | 1H-Pyrrolo[3,2-c]pyridine-3-carboxylic acid, 6-bromo-

AG0000IF

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CAS Number	1000341-77-4
Catalog Number	AG0000IF(AGN-PC-04Q655)
Chemical Name	1H-Pyrrolo[3,2-c]pyridine-3-carboxylic acid, 6-bromo-
IUPAC Name	6-bromo-1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid
InChI	InChI=1S/C8H5BrN2O2/c9-7-1-6-4(2-11-7)5(3-10-6)8(12)13/h1-3,10H,(H,12,13)
InChI Key	OMNSPSNQBACNCT-UHFFFAOYSA-N
MDL Number	MFCD09749989
Molecular Formula	C8H5BrN2O2
Molecular Weight	241.0415
SMILES	O=C(C1=CNC2=C1C=NC(Br)=C2)O
Synonyms	1000341-77-4, 6-Bromo-1H-pyrrolo[3,2-c]pyridine-3-carboxylic acid, 6-Bromo-5-azaindole-3-carboxylic acid, 1H-Pyrrolo[3,2-c]pyridine-3-carboxylic acid, 6-bromo-, AK104454, SCHEMBL16597507, CTK8B7623, DTXSID10646776, 0041AA, ANW-57972, MFCD09749989, ZINC14986209, AKOS016002914, CB-3982, DS-4227, FCH1393029, SB12370, AJ-66556, BC264502, AX8232599, TC-146717, 4CH-000126, ST24045138, W-1098, C8H5BrN2O2,

Complexity	224
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	239.953g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	241.044g/mol
Monoisotopic Mass	239.953g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66A^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-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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