AG004FUE

874472-98-7 | 3-Bromo-2-methoxybenzonitrile

AG004FUE

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CAS Number	874472-98-7
Catalog Number	AG004FUE(AGN-PC-086DL8)
Chemical Name	3-Bromo-2-methoxybenzonitrile
IUPAC Name	3-bromo-2-methoxybenzonitrile
InChI	InChI=1S/C8H6BrNO/c1-11-8-6(5-10)3-2-4-7(8)9/h2-4H,1H3
InChI Key	ONHVKHDUTPBVBT-UHFFFAOYSA-N
MDL Number	MFCD09834773
Molecular Formula	C8H6BrNO
Molecular Weight	212.0433
SMILES	COC1=C(C=CC=C1Br)C#N
Synonyms	3-BROMO-2-METHOXYBENZONITRILE, 874472-98-7, 2-BROMO-6-CYANOANISOLE, Benzonitrile, 3-bromo-2-methoxy-, AK109474, ACMC-20an91, 3-bromo-2-methoxy-benzonitrile, SCHEMBL1423571, CTK5F8471, Benzonitrile,3-bromo-2-methoxy-, DTXSID00677812, ONHVKHDUTPBVBT-UHFFFAOYSA-N, 3-bromo-2-(methyloxy)benzonitrile, 3-bromo-2-methoxybenzonitrile 97%, KS-00000PN4, 3849AC, CL9085, MFCD09834773, ZINC43277609, 3-Bromo-2-methoxybenzonitrile, 97%, AKOS015833864, DS-4345, FCH1327217, RTR-027491, OR345437, SC-91969, AJ-108571, AX8224771, DB-076958, ST2410510, TR-027491, 4CH-016425, CS-0028742, FT-0682428, A-8593, I01-12943, C8H6BrNO, CB11301, A10408,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	210.963g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	212.046g/mol
Monoisotopic Mass	210.963g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	33A^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+H312+H332
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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