AG00EE4C

Name: 3-isocyanato-1H-indole
Brand: Angene Chemical
SKU: AG00EE4C

57778-78-6 | 3-isocyanato-1H-indole

AG00EE4C

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CAS Number	57778-78-6
Catalog Number	AG00EE4C(AGN-PC-0NI7P3)
Chemical Name	3-isocyanato-1H-indole
IUPAC Name	3-isocyanato-1H-indole
InChI	InChI=1S/C9H6N2O/c12-6-11-9-5-10-8-4-2-1-3-7(8)9/h1-5,10H
InChI Key	MOQVAFASDJTQQU-UHFFFAOYSA-N
MDL Number	MFCD09864202
Molecular Formula	C9H6N2O
Molecular Weight	158.1567
SMILES	O=C=Nc1c[nH]c2c1cccc2
Synonyms	3-isocyanato-1H-indole, 57778-78-6, 1H-Indole, 3-isocyanato-, 3-indolyl isocyanate, AC1Q6BOB, SCHEMBL4042175, CTK5A7427, DTXSID50482099, ALBB-009276, 3-Isocyanato-1H-indole, AldrichCPR, 5954AE, MFCD09864202, STK505795, ZINC19087881, AKOS005171958, MCULE-5249849405, DA-18563, AB0154950, TR-020147, FT-0679542, Y-5641, I10-1358, F2143-0204, C9H6N2O,

Complexity	211
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	158.048g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	158.16g/mol
Monoisotopic Mass	158.048g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	45.2A^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