AG0000DZ

1000340-35-1 | 1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 4-bromo-

AG0000DZ

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CAS Number	1000340-35-1
Catalog Number	AG0000DZ(AGN-PC-04Q68S)
Chemical Name	1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 4-bromo-
IUPAC Name	4-bromo-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
InChI	InChI=1S/C8H5BrN2O/c9-6-1-2-10-8-7(6)5(4-12)3-11-8/h1-4H,(H,10,11)
InChI Key	GVJOYNDJFISGTG-UHFFFAOYSA-N
MDL Number	MFCD09880126
Molecular Formula	C8H5BrN2O
Molecular Weight	225.0421
SMILES	O=Cc1c[nH]c2c1c(Br)ccn2
Synonyms	4-BROMO-1H-PYRROLO[2,3-B]PYRIDINE-3-CARBALDEHYDE, 1000340-35-1, 4-Bromo-3-formyl-7-azaindole, AK-31263, W-204321, 1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 4-bromo-, 4-Bromo-7-azaindole-3-carbaldehyde, SCHEMBL672053, CTK8C5219, DTXSID20646883, GVJOYNDJFISGTG-UHFFFAOYSA-N, 0025AA, ANW-74755, BBL102025, MFCD09880126, STL555824, ZINC16678071, AKOS015949341, CB-3953, CS-W001275, FCH1394911, RP09246, SB14383, AJ-69034, DA-16599, DS-11842, QC-10623, AB0069705, AX8208228, ST2411149, TC-163500, 4CH-016562, FT-0684950, W-1022, J-514555, 4-bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxaldehyde, C8H5BrN2O, 1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde,4-bromo-,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	223.959g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	225.045g/mol
Monoisotopic Mass	223.959g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	45.8A^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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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