AG000P3G

1190309-69-3 | 1H-Pyrrolo[2,3-b]pyridine-5-carbonitrile, 3-bromo-

AG000P3G

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CAS Number	1190309-69-3
Catalog Number	AG000P3G(AGN-PC-0WANFQ)
Chemical Name	1H-Pyrrolo[2,3-b]pyridine-5-carbonitrile, 3-bromo-
IUPAC Name	3-bromo-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile
InChI	InChI=1S/C8H4BrN3/c9-7-4-12-8-6(7)1-5(2-10)3-11-8/h1,3-4H,(H,11,12)
InChI Key	ZEGVAWKWFXUSRV-UHFFFAOYSA-N
MDL Number	MFCD12962898
Molecular Formula	C8H4BrN3
Molecular Weight	222.0415
SMILES	N#Cc1cnc2[nH]cc(Br)c2c1
Synonyms	3-bromo-1H-pyrrolo[2,3-b]pyridine-5-carbonitrile, 1190309-69-3, 3-BROMO-5-CYANO-7-AZAINDOLE, AK163290, KS-000005TE, MFCD12962898, ZINC44712778, AKOS024462867, CS-W020440, DS-8039, FCH1378791, SB14500, BBV-40254898, W-1558, 1H-Pyrrolo[2,3-b]pyridine-5-carbonitrile, 3-bromo-,

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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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