AG01B2MB

Name: Methyl 4-(isocyanatomethyl)benzoate
Brand: Angene Chemical
SKU: AG01B2MB

78915-52-3 | Methyl 4-(isocyanatomethyl)benzoate

AG01B2MB

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COA

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WARNING This product is not for human or veterinary use.

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CAS Number	78915-52-3
Catalog Number	AG01B2MB
Chemical Name	Methyl 4-(isocyanatomethyl)benzoate
IUPAC Name	methyl 4-(isocyanatomethyl)benzoate
InChI	InChI=1S/C10H9NO3/c1-14-10(13)9-4-2-8(3-5-9)6-11-7-12/h2-5H,6H2,1H3
InChI Key	LZZCJAKMNAEAGY-UHFFFAOYSA-N
MDL Number	MFCD06740496
Molecular Formula	C10H9NO3
Molecular Weight	191.1834
SMILES	COC(C1=CC=C(CN=C=O)C=C1)=O
Synonyms	methyl 4-(isocyanatomethyl)benzoate, 78915-52-3, SCHEMBL8318466, ZINC144151967,

Complexity	238
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	191.058g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	191.186g/mol
Monoisotopic Mass	191.058g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	55.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

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