AG000MBX

1245647-50-0 | Benzonitrile, 2-bromo-6-methoxy-

AG000MBX

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CAS Number	1245647-50-0
Catalog Number	AG000MBX(AGN-PC-080FIQ)
Chemical Name	Benzonitrile, 2-bromo-6-methoxy-
IUPAC Name	2-bromo-6-methoxybenzonitrile
InChI	InChI=1S/C8H6BrNO/c1-11-8-4-2-3-7(9)6(8)5-10/h2-4H,1H3
InChI Key	BRGJGSKDCPXSHB-UHFFFAOYSA-N
MDL Number	MFCD09834771
Molecular Formula	C8H6BrNO
Molecular Weight	212.0433
SMILES	O(C)c1c(C#N)c(Br)ccc1
Synonyms	2-Bromo-6-methoxybenzonitrile, 1245647-50-0, AK-86736, ACMC-209aso, 3-Bromo-2-cyanoanisole, KSC494G5P, 2-Bromo-6-methoxy-benzonitrile, SCHEMBL16179979, CTK3J4357, KS-00000PTA, DTXSID50677408, BRGJGSKDCPXSHB-UHFFFAOYSA-N, Benzonitrile, 2-bromo-6-methoxy-, ANW-18262, CL8156, MFCD09834771, ZINC66325512, AKOS015890472, AM84103, FCH1393895, FS-3525, BBV-40270002, CJ-21278, AB0035288, AJ-115991, AX8227190, DB-010980, RT-001974, ST2409720, 4CH-011547, FT-0748739, X9592, B-6736, I01-6658, C8H6BrNO,

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-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number