AG01AFGY

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CAS Number	1247022-11-2
Catalog Number	AG01AFGY
Chemical Name	4-(Bromomethyl)-3-methylbenzonitrile
IUPAC Name	4-(bromomethyl)-3-methylbenzonitrile
InChI	InChI=1S/C9H8BrN/c1-7-4-8(6-11)2-3-9(7)5-10/h2-4H,5H2,1H3
InChI Key	AFWUDADEHIHOQA-UHFFFAOYSA-N
MDL Number	MFCD18394364
Molecular Formula	C9H8BrN
Molecular Weight	210.0705
SMILES	N#CC1=CC=C(CBr)C(C)=C1
Synonyms	4-(bromomethyl)-3-methylbenzonitrile, 1247022-11-2, SCHEMBL3715551, 4-Cyano-2-methylbenzyl bromide, ZINC95883875, FCH1371103, NE33543, BBV-40247210, EN300-153742,

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	2.6

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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