AG004WD2

831203-15-7 | 5-Bromo-2-pyrimidineacetonitrile

AG004WD2

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CAS Number	831203-15-7
Catalog Number	AG004WD2(AGN-PC-07HAYK)
Chemical Name	5-Bromo-2-pyrimidineacetonitrile
IUPAC Name	2-(5-bromopyrimidin-2-yl)acetonitrile
InChI	InChI=1S/C6H4BrN3/c7-5-3-9-6(1-2-8)10-4-5/h3-4H,1H2
InChI Key	XLGDBMBECTZVKI-UHFFFAOYSA-N
MDL Number	MFCD11111850
Molecular Formula	C6H4BrN3
Molecular Weight	198.0201
SMILES	BrC1=CN=C(N=C1)CC#N
Synonyms	831203-15-7, 5-Bromo-2-pyrimidineacetonitrile, 2-(5-BROMOPYRIMIDIN-2-YL)ACETONITRILE, 2-Pyrimidineacetonitrile,5-bromo-, (5-bromo-pyrimidin-2-yl)-acetonitrile, AK-25208, SCHEMBL1763006, 5-Bromopyrimidine-2-acetonitrile, CTK5F0398, DTXSID50672019, XLGDBMBECTZVKI-UHFFFAOYSA-N, KS-00000HK4, (5-bromopyrimidin-2-yl)acetonitrile, ANW-50930, MFCD11111850, ZINC40448509, 2-(5-Bromo-2-pyrimidyl)acetonitrile, AKOS013187530, CS-W006610, FCH5484432, SB15867, BBV-38041659, BR-25208, CJ-20159, DS-10677, SC-25359, TZ001091, AB0026896, AJ-102787, AX8159404, DB-075901, TR-025908, 4CH-008218, FT-0741243, ST24027577, W8650, S-7009, C6H4BrN3,

Complexity	142
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	196.959g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	198.023g/mol
Monoisotopic Mass	196.959g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	49.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.6

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

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