AG000JB8

1227572-25-9 | 2-(5-Chloro-3-fluoropyridin-2-yl)acetonitrile

AG000JB8

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CAS Number	1227572-25-9
Catalog Number	AG000JB8(AGN-PC-0WCRSZ)
Chemical Name	2-(5-Chloro-3-fluoropyridin-2-yl)acetonitrile
IUPAC Name	2-(5-chloro-3-fluoropyridin-2-yl)acetonitrile
InChI	InChI=1S/C7H4ClFN2/c8-5-3-6(9)7(1-2-10)11-4-5/h3-4H,1H2
InChI Key	LHNIARQWANVJKF-UHFFFAOYSA-N
MDL Number	MFCD16608835
Molecular Formula	C7H4ClFN2
Molecular Weight	170.5715
SMILES	N#CCC1=NC=C(Cl)C=C1F
Synonyms	2-(5-chloro-3-fluoropyridin-2-yl)acetonitrile, 1227572-25-9, 2-Pyridineacetonitrile, 5-chloro-3-fluoro-, SCHEMBL1762619, DTXSID20729044, LHNIARQWANVJKF-UHFFFAOYSA-N, MFCD16608835, ZINC83141934, AKOS016015161, RL01044, 5-Chloro-3-fluoropyridine-2-acetonitrile, AK131490, AJ-125774, (5-Chloro-3-fluoropyridin-2-yl)acetonitrile, (5-chloro-3-fluoro-pyridin-2-yl)-acetonitrile, J-506124,

Complexity	177
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	170.005g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	170.571g/mol
Monoisotopic Mass	170.005g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	36.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

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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