AG000JB6

1227572-94-2 | 4-Pyridinecarboxaldehyde, 2-bromo-3-fluoro-

AG000JB6

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CAS Number	1227572-94-2
Catalog Number	AG000JB6(AGN-PC-0AC144)
Chemical Name	4-Pyridinecarboxaldehyde, 2-bromo-3-fluoro-
IUPAC Name	2-bromo-3-fluoropyridine-4-carbaldehyde;hydrate
InChI	InChI=1S/C6H3BrFNO.H2O/c7-6-5(8)4(3-10)1-2-9-6;/h1-3H;1H2
InChI Key	FYISHJPSPNVIGM-UHFFFAOYSA-N
MDL Number	MFCD22123690
Molecular Formula	C6H3BrFNO
Molecular Weight	203.9965
SMILES	BrC=1C(=C(C=O)C=CN1)F
Synonyms	2-Bromo-3-fluoroisonicotinaldehyde hydrate, 1227572-94-2, ACMC-209amh, C6H3BrFNO.H2O, SCHEMBL17748269, CTK8A9526, DTXSID90716709, ANW-18039, AKOS015907860, AK-89217, AS-54448, AX8239667, TC-106784, Z8656, B-6705, 2-bromo-3-fluoropyridine-4-carbaldehyde;hydrate, I14-25504, 2-Bromo-3-fluoropyridine-4-carbaldehyde--water (1/1), 2-Bromo-3-fluoro-4-formylpyridine, 2-bromo-3-fluoropyridine-4-carbaldehyde, 95% - 1G 1g,

Complexity	133
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	220.949g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	222.013g/mol
Monoisotopic Mass	220.949g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	31A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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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