AG000HED

1159982-14-5 | 1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 4-bromo-

AG000HED

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CAS Number	1159982-14-5
Catalog Number	AG000HED(AGN-PC-0WAN2P)
Chemical Name	1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 4-bromo-
IUPAC Name	4-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbonitrile
InChI	InChI=1S/C8H4BrN3/c9-6-1-2-11-8-7(6)5(3-10)4-12-8/h1-2,4H,(H,11,12)
InChI Key	FISOZTLOLLQPFJ-UHFFFAOYSA-N
MDL Number	MFCD11046238
Molecular Formula	C8H4BrN3
Molecular Weight	222.0415
SMILES	N#CC1=CNC2=NC=CC(Br)=C21
Synonyms	4-BROMO-1H-PYRROLO[2,3-B]PYRIDINE-3-CARBONITRILE, 1159982-14-5, AK-31264, 4-Bromo-3-cyano-7-azaindole, DTXSID30672259, KS-00000RM3, 2615AA, MFCD11046238, ZINC19046163, AKOS016842528, CS-W006947, FCH1401953, AJ-70786, DS-11843, AX8257066, ST2405580, 4CH-017329, 1H-Pyrrolo[2,3-b]pyridine-3-carbonitrile, 4-bromo-, C8H4BrN3, 4-Bromo-7-azaindole-3-carbonitrile,

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	220.959g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	222.045g/mol
Monoisotopic Mass	220.959g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	52.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P280-P305+P351+P338-P310
UN Code

Certificate of Analysis

Lot Number