AG01B324

Name: 1-(1-Isocyanatoethyl)-2-methylbenzene
Brand: Angene Chemical
SKU: AG01B324

1339019-98-5 | 1-(1-Isocyanatoethyl)-2-methylbenzene

AG01B324

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CAS Number	1339019-98-5
Catalog Number	AG01B324
Chemical Name	1-(1-Isocyanatoethyl)-2-methylbenzene
IUPAC Name	1-(1-isocyanatoethyl)-2-methylbenzene
InChI	InChI=1S/C10H11NO/c1-8-5-3-4-6-10(8)9(2)11-7-12/h3-6,9H,1-2H3
InChI Key	LAXZVKNOZKBMQK-UHFFFAOYSA-N
MDL Number	MFCD18269831
Molecular Formula	C10H11NO
Molecular Weight	161.2004
SMILES	CC(C1=C(C)C=CC=C1)N=C=O
Synonyms	1-(1-isocyanatoethyl)-2-methylbenzene, 1339019-98-5, SCHEMBL8755636, AKOS012410864,

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	1
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