AG00AR2N

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CAS Number	170230-29-2
Catalog Number	AG00AR2N
Chemical Name	4-bromo-3-ethyl-benzonitrile
IUPAC Name	4-bromo-3-ethylbenzonitrile
InChI	InChI=1S/C9H8BrN/c1-2-8-5-7(6-11)3-4-9(8)10/h3-5H,2H2,1H3
InChI Key	ITVYYZNUYKBREP-UHFFFAOYSA-N
MDL Number	MFCD19686187
Molecular Formula	C9H8BrN
Molecular Weight	210.0705
SMILES	BrC1=C(C=C(C#N)C=C1)CC
Synonyms	4-Bromo-3-ethylbenzonitrile, 170230-29-2, 4-bromo-3-ethyl benzonitrile, SCHEMBL2934457, Benzonitrile, 4-bromo-3-ethyl-, DTXSID10622116, ITVYYZNUYKBREP-UHFFFAOYSA-N, ZINC67802835, AKOS026672029, FCH1359423,

Complexity	170
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	208.984g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	210.074g/mol
Monoisotopic Mass	208.984g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

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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