AG00DADB

508189-19-3 | 2-(4-Bromo-2,6-dimethylphenoxy)acetonitrile

AG00DADB

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CAS Number	508189-19-3
Catalog Number	AG00DADB(AGN-PC-03Q02O)
Chemical Name	2-(4-Bromo-2,6-dimethylphenoxy)acetonitrile
IUPAC Name	2-(4-bromo-2,6-dimethylphenoxy)acetonitrile
InChI	InChI=1S/C10H10BrNO/c1-7-5-9(11)6-8(2)10(7)13-4-3-12/h5-6H,4H2,1-2H3
InChI Key	QTDXMYXASSOVFY-UHFFFAOYSA-N
MDL Number	MFCD09906423
Molecular Formula	C10H10BrNO
Molecular Weight	240.0965
SMILES	N#CCOC1=C(C)C=C(Br)C=C1C
Synonyms	2-(4-BROMO-2,6-DIMETHYLPHENOXY)ACETONITRILE, 508189-19-3, (4-Bromo-2,6-dimethylphenoxy)acetonitrile, ACMC-209kq9, CTK4J3202, DTXSID20627576, ANW-31135, MFCD09906423, ZINC11834392, AKOS015835469, MCULE-7522279142, 2,6-Dimethyl-4-bromophenoxyacetonitrile, AJ-60227, AS-17999, CJ-13696, TR-036916, CS-0061138, V6286, A-5754, I14-24802, (4-Bromo-2,6-dimethylphenoxy)acetonitrile, AldrichCPR, C10H10BrNO,

Complexity	198
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	238.995g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	240.1g/mol
Monoisotopic Mass	238.995g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	33A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

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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