AG01C4I6

Name: 5-Tert-butyl-2-methoxybenzonitrile
Brand: Angene Chemical
SKU: AG01C4I6

85943-30-2 | 5-Tert-butyl-2-methoxybenzonitrile

AG01C4I6

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CAS Number	85943-30-2
Catalog Number	AG01C4I6
Chemical Name	5-Tert-butyl-2-methoxybenzonitrile
IUPAC Name	5-tert-butyl-2-methoxybenzonitrile
InChI	InChI=1S/C12H15NO/c1-12(2,3)10-5-6-11(14-4)9(7-10)8-13/h5-7H,1-4H3
InChI Key	XWWHEVCXDNAOKH-UHFFFAOYSA-N
MDL Number	MFCD14537679
Molecular Formula	C12H15NO
Molecular Weight	189.2536
SMILES	COC1=C(C#N)C=C(C(C)(C)C)C=C1
Synonyms	5-tert-butyl-2-methoxybenzonitrile, 85943-30-2, SCHEMBL10267017, XWWHEVCXDNAOKH-UHFFFAOYSA-N, 2-Methoxy-5-tert-butylbenzonitrile, ZINC36200045, AKOS005151570, 2-methoxy-5-tert-butyl-benzonitrile, CID10330141,

Complexity	232
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	189.115g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	189.258g/mol
Monoisotopic Mass	189.115g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	33A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited