AG00BNTF

312325-74-9 | 2-(2-Bromopyridin-4-yl)acetonitrile

AG00BNTF

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CAS Number	312325-74-9
Catalog Number	AG00BNTF(AGN-PC-09T3HY)
Chemical Name	2-(2-Bromopyridin-4-yl)acetonitrile
IUPAC Name	2-(2-bromopyridin-4-yl)acetonitrile
InChI	InChI=1S/C7H5BrN2/c8-7-5-6(1-3-9)2-4-10-7/h2,4-5H,1H2
InChI Key	PBNYXTKBDQXJFM-UHFFFAOYSA-N
MDL Number	MFCD11100738
Molecular Formula	C7H5BrN2
Molecular Weight	197.0320
SMILES	N#CCC1=CC(Br)=NC=C1
Synonyms	2-(2-BROMOPYRIDIN-4-YL)ACETONITRILE, 312325-74-9, 4-Pyridineacetonitrile, 2-bromo-, 2-(2-BROMO(PYRIDIN-4-YL))ACETONITRILE, SCHEMBL1670797, (2-bromopyrid-4-yl)acetonitrile, CTK4G6601, DTXSID40700017, PBNYXTKBDQXJFM-UHFFFAOYSA-N, (2-bromopyridin-4-yl)-acetonitrile, FCH888285, MFCD11100738, ZINC35569992, (2-bromo-pyridin-4-yl)-acetonitrile, 2-BROMOPYRIDINE-4-ACETONITRILE, AKOS006308957, AB63148, ACM312325749, AJ-91542, AS-41699, SC-35732, (2-BROMOPYRIDIN-4-YL)ACETONITRILE, AX8288307, 2- ACETONITRILE,

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	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number