AG0004SV

1015610-39-5 | 1H-Pyrrolo[2,3-b]pyridine-4-carboxaldehyde, 5-chloro-

AG0004SV

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CAS Number	1015610-39-5
Catalog Number	AG0004SV(AGN-PC-04G0HW)
Chemical Name	1H-Pyrrolo[2,3-b]pyridine-4-carboxaldehyde, 5-chloro-
IUPAC Name	5-chloro-1H-pyrrolo[2,3-b]pyridine-4-carbaldehyde
InChI	InChI=1S/C8H5ClN2O/c9-7-3-11-8-5(1-2-10-8)6(7)4-12/h1-4H,(H,10,11)
InChI Key	PHZFFVFGFZWMFD-UHFFFAOYSA-N
MDL Number	MFCD09965890
Molecular Formula	C8H5ClN2O
Molecular Weight	180.5911
SMILES	ClC1=C(C=O)C2=C(NC=C2)N=C1
Synonyms	5-Chloro-1H-pyrrolo[2,3-b]pyridine-4-carbaldehyde, 1015610-39-5, AC1Q3KPF, ACMC-2097vw, SCHEMBL1952520, CTK7H8111, DTXSID20640169, PHZFFVFGFZWMFD-UHFFFAOYSA-N, ANW-14490, FCH836830, MFCD09965890, ZINC14401168, AKOS006282571, PB17721, KS-000005O3, AJ-64827, AK-56391, AS-50689, CJ-14520, SC-58658, AX8188494, DB-029504, TR-049731, CS-0050539, FT-0724913, Z6361, 5-Chloropyrrolo[2,3-b]pyridine-4-carbaldehyde, A-5843, 1-(4-aminomethyl-phenyl)-piperidine-2-carboxylic a, 1H-Pyrrolo[2,3-b]pyridine-4-carboxaldehyde, 5-chloro-, 5-Chloro-1H-pyrrolo[2,3-b]pyridine-4-carbaldehyde, AldrichCPR, C8H5ClN2O,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	180.009g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	180.591g/mol
Monoisotopic Mass	180.009g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	45.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H319
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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