AG000YH4

1289001-34-8 | 3-Pyridinecarboxaldehyde, 4-amino-5-bromo-

AG000YH4

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CAS Number	1289001-34-8
Catalog Number	AG000YH4(AGN-PC-0WD49Z)
Chemical Name	3-Pyridinecarboxaldehyde, 4-amino-5-bromo-
IUPAC Name	4-amino-5-bromopyridine-3-carbaldehyde
InChI	InChI=1S/C6H5BrN2O/c7-5-2-9-1-4(3-10)6(5)8/h1-3H,(H2,8,9)
InChI Key	ZBWQOHAQWISSDZ-UHFFFAOYSA-N
MDL Number	MFCD22547336
Molecular Formula	C6H5BrN2O
Molecular Weight	201.0207
SMILES	O=CC1=CN=CC(Br)=C1N
Synonyms	4-Amino-5-bromonicotinaldehyde, 1289001-34-8, DTXSID20858661, MFCD22547336, ZINC95769180, AB83649, DS-7703, FCH2293144, 4-Amino-5-bromopyridine-3-carbaldehyde, AK143665, AJ-133857, AX8282907, 3-Pyridinecarboxaldehyde, 4-amino-5-bromo-, CS-0063825,

Complexity	131
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	199.959g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	201.023g/mol
Monoisotopic Mass	199.959g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	56A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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