AG00A130

142892-31-7 | 2-(3-Bromopyridin-4-yl)acetonitrile

AG00A130

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CAS Number	142892-31-7
Catalog Number	AG00A130(AGN-PC-00OZK8)
Chemical Name	2-(3-Bromopyridin-4-yl)acetonitrile
IUPAC Name	2-(3-bromopyridin-4-yl)acetonitrile
InChI	InChI=1S/C7H5BrN2/c8-7-5-10-4-2-6(7)1-3-9/h2,4-5H,1H2
InChI Key	XAOBSLPTEJADHP-UHFFFAOYSA-N
MDL Number	MFCD10000070
Molecular Formula	C7H5BrN2
Molecular Weight	197.0320
SMILES	N#CCC1=C(Br)C=NC=C1
Synonyms	2-(3-BROMOPYRIDIN-4-YL)ACETONITRILE, 142892-31-7, 3-Bromopyridine-4-acetonitrile, 4-Pyridineacetonitrile, 3-bromo-, AK151742, SCHEMBL360235, CTK4C3358, DTXSID90571890, (3-Bromopyridin-4-yl)acetonitrile, KS-00000SB9, FCH880193, MFCD10000070, ZINC35569990, AKOS006302635, DS-9628, AJ-91541, BBV-38316989, SC-30290, AX8288306, 2-(3-BROMO(PYRIDIN-4-YL))ACETONITRILE, 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	1.2

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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