AG007B1A

109305-98-8 | 2-BROMO-4,5-DIMETHOXYBENZONITRILE

AG007B1A

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CAS Number	109305-98-8
Catalog Number	AG007B1A(AGN-PC-0L8Q7S)
Chemical Name	2-BROMO-4,5-DIMETHOXYBENZONITRILE
IUPAC Name	2-bromo-4,5-dimethoxybenzonitrile
InChI	InChI=1S/C9H8BrNO2/c1-12-8-3-6(5-11)7(10)4-9(8)13-2/h3-4H,1-2H3
InChI Key	BCLBFUAPLHUFET-UHFFFAOYSA-N
MDL Number	MFCD02256761
Molecular Formula	C9H8BrNO2
Molecular Weight	242.0693
SMILES	c1(c(cc(c(c1)OC)OC)Br)C#N
Synonyms	2-bromo-4,5-dimethoxybenzonitrile, 109305-98-8, AK145599, 2-bromo-4,5-dimethoxybenzenecarbonitrile, 2-bromo-4,5-dimethoxy-benzonitrile, ACMC-20ao2q, AC1N8J03, AC1Q46I2, SCHEMBL7980232, CTK4A6426, KS-00000MVL, DTXSID40401673, ZINC6180619, MFCD02256761, SBB029351, STK436805, Benzonitrile,2-bromo-4,5-dimethoxy-, AKOS000303537, DS-3090, FCH5281715, MCULE-2917695923, NCGC00340316-01, AJ-55929, BBV-32037912, AX8071706, RT-007453, ST2409645, 4CH-016498, ST50408719, 2-Bromo-4,5-dimethoxybenzonitrile, AldrichCPR, AB01332892-02, I14-94473, CID4296227,

Complexity	213
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	240.974g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	242.072g/mol
Monoisotopic Mass	240.974g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	42.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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