AG000JLU

122851-60-9 | 2-Pyridineacetonitrile, 3-bromo-

AG000JLU

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CAS Number	122851-60-9
Catalog Number	AG000JLU(AGN-PC-0JU8BC)
Chemical Name	2-Pyridineacetonitrile, 3-bromo-
IUPAC Name	2-(3-bromopyridin-2-yl)acetonitrile
InChI	InChI=1S/C7H5BrN2/c8-6-2-1-5-10-7(6)3-4-9/h1-2,5H,3H2
InChI Key	TYSWNHWAGMAOJF-UHFFFAOYSA-N
MDL Number	MFCD09999977
Molecular Formula	C7H5BrN2
Molecular Weight	197.0320
SMILES	N#CCC1=NC=CC=C1Br
Synonyms	2-(3-bromopyridin-2-yl)acetonitrile, 122851-60-9, (3-bromopyridin-2-yl)acetonitrile, (3-Bromo-pyridin-2-yl)-acetonitrile, 2-pyridineacetonitrile, 3-bromo-, 3-BROMOPYRIDINE-2-ACETONITRILE, AK131427, AC1LD5VE, 3-bromo-2-cyanomethylpyridine, SCHEMBL3059867, DTXSID90349076, 3-bromopyridine-2-yl-acetonitrile, TYSWNHWAGMAOJF-UHFFFAOYSA-N, BCP16569, KS-00000RG0, 1096AJ, MFCD09999977, ZINC32302793, AKOS012506155, ACN-045385, DS-6929, FCH4774369, PB13243, RL01052, AJ-85240, BBV-36998522, SC-34398, AX8252350, DB-082471, CS-0036547, FT-0703321, Q-1583, J-505769, I14-17223, InChI=1/C7H5BrN2/c8-6-2-1-5-10-7(6)3-4-9/h1-2,5H,3H, C7H5BrN2, CID642825,

Complexity	149
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.964g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	197.035g/mol
Monoisotopic Mass	195.964g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	36.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number