AG01ALB1

Name: 1-(isocyanatomethyl)-2,4-dimethylbenzene
Brand: Angene Chemical
SKU: AG01ALB1

56651-59-3 | 1-(isocyanatomethyl)-2,4-dimethylbenzene

AG01ALB1

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CAS Number	56651-59-3
Catalog Number	AG01ALB1(AGN-PC-00LQ1Y)
Chemical Name	1-(isocyanatomethyl)-2,4-dimethylbenzene
IUPAC Name	1-(isocyanatomethyl)-2,4-dimethylbenzene
InChI	InChI=1S/C10H11NO/c1-8-3-4-10(6-11-7-12)9(2)5-8/h3-5H,6H2,1-2H3
InChI Key	ATLVTMVEYQOHCH-UHFFFAOYSA-N
MDL Number	MFCD21880248
Molecular Formula	C10H11NO
Molecular Weight	161.2004
SMILES	CC1=CC(C)=C(CN=C=O)C=C1
Synonyms	1-(isocyanatomethyl)-2,4-dimethylbenzene, 56651-59-3, 2,4-dimethylbenzyl isocyanate, ZINC39435857, AKOS022535433,

Complexity	184
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	161.084g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	161.204g/mol
Monoisotopic Mass	161.084g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	29.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

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